SCHEMBL29411316

SCHEMBL29411316

c1cncc(C2CCNC(c3cccnc3)C2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 8/20 0.69
▸ CHRNA4 P43681 8/20 0.69
▸ CHRNA7 P36544 7/20 0.63
▸ CYP2A6 P11509 3/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ CYP2D6 P10635 2/20 0.61
▸ CYP2C19 P33261 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ POLB P06746 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ CYP11B2 P19099 1/20 0.54
▸ CHRNA3 P32297 2/20 0.45
▸ CHRNA1 P02708 1/20 0.45
▸ CHRNG P07510 1/20 0.45
▸ CHRNB1 P11230 1/20 0.45
▸ CHRNB4 P30926 1/20 0.45
▸ CHRND Q07001 1/20 0.45
▸ KDM1A O60341 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5912286 1.00 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
SCHEMBL30711273 0.85 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
SCHEMBL16272028 0.85 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
Hydrochloric Acid SCHEMBL17667438 0.84 CHRNB2 (0.60) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
Hydrochloric Acid SCHEMBL27806813 0.83 CHRNB2 (0.58) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
SCHEMBL159642 0.82 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
SCHEMBL7008708 0.82 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
SCHEMBL31465048 0.82 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
SCHEMBL30676152 0.79 CYP11B2 (0.67) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
SCHEMBL533875 0.79 CYP11B2 (0.67) CHRNB2CHRNA4CHRNA7CYP2A6MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250163443-A1 METHODS FOR PRODUCING LOW-NICOTINE TOBACCO UNIV NORTH CAROLINA STATE (US) 2025-05-22 — — US disclosed
US-20250043298-A1 INCREASING ANATABINE IN TOBACCO LEAF BY REGULATING METHYL PUTRESCINE OXIDASE PHILIP MORRIS PRODUCTS S.A. (CH) 2025-02-06 — — US disclosed
US-20240368615-A1 MODULATING ALKALOID PROFILES IN NICOTIANA TABACUM PHILIP MORRIS PRODUCTS S.A. (CH) 2024-11-07 — — US disclosed
US-12084670-B2 Regulating alkaloids 22ND CENTURY LIMITED, LLC (US) 2024-09-10 — — US disclosed
US-12018265-B2 Nucleic acid encoding n-methylputrescine oxidase and uses thereof 22ND CENTURY LIMITED, LLC (US) 2024-06-25 — — US disclosed
WO-2023141481-A9 METHODS FOR PRODUCING LOW-NICOTINE TOBACCO NORTH CAROLINA STATE UNIVERSITY (US) 2024-05-23 — — WO disclosed
US-20230399652-A1 INCREASING LEVELS OF NICOTINIC ALKALOIDS IN PLANTS 22ND CENTURY LIMITED, LLC (US) 2023-12-14 — — US disclosed
US-11839231-B2 Reducing levels of nicotinic alkaloids in plants 22ND CENTURY LIMITED, LLC (US) 2023-12-12 — — US disclosed
US-20230340510-A1 REGULATING ALKALOIDS 22ND CENTURY LIMITED, LLC (US) 2023-10-26 — — US disclosed
US-20230340514-A1 NUCLEIC ACID SEQUENCES ENCODING TRANSCRIPTION FACTORS REGULATING ALKALOID BIOSYNTHESIS AND THEIR USE IN MODIFYING PLANT METABOLISM 22ND CENTURY LIMITED, LLC (US) 2023-10-26 — — US disclosed
US-11667924-B2 Increasing levels of nicotinic alkaloids in plants 22ND CENTURY LIMITED, LLC (US) 2023-06-06 — — US disclosed
WO-2023036691-A1 MODULATING ALKALOID PROFILES IN NICOTIANA TABACUM PHILIP MORRIS PRODUCTS S.A. (CH) 2023-03-16 — — WO disclosed
US-11597941-B2 Nucleic acid sequences encoding transcription factors regulating alkaloid biosynthesis and their use in modifying plant metabolism 22ND CENTURY LIMITED, LLC (US) 2023-03-07 — — US disclosed
US-20230048978-A1 NUCLEIC ACID SEQUENCES ENCODING TRANSCRIPTION FACTORS REGULATING ALKALOID BIOSYNTHESIS AND THEIR USE IN MODIFYING PLANT METABOLISM 22ND CENTURY LIMITED, LLC (US) 2023-02-16 — — US disclosed
US-11572568-B2 Regulating alkaloids 22ND CENTURY LIMITED, LLC (US) 2023-02-07 — — US disclosed
US-20230029030-A1 NUCLEIC ACID ENCODING N-METHYLPUTRESCINE OXIDASE AND USES THEREOF 22ND CENTURY LIMITED, LLC (US) 2023-01-26 — — US disclosed
US-20220275387-A1 TRANSCRIPTION FACTOR NtERF221 AND METHODS OF USING THE SAME UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2022-09-01 — — US disclosed
US-11396656-B2 Nucleic acid encoding n-methylputrescine oxidase and uses thereof 22ND CENTURY LIMITED, LLC (US) 2022-07-26 — — US disclosed
EP-4009777-A1 TRANSCRIPTION FACTOR NTERF221 AND METHODS OF USING THE SAME University Of Virginia Patent Foundation (US) 2022-06-15 — — EP disclosed
US-20220087306-A1 REDUCING LEVELS OF NICOTINIC ALKALOIDS IN PLANTS 22ND CENTURY LIMITED, LLC (US) 2022-03-24 — — US disclosed
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