SCHEMBL12957802

SCHEMBL12957802

Nn1c2c(c3ccccc31)CCC=C2

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.32
▸ CA1 P00915 3/20 0.32
▸ CA2 P00918 3/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR6 P50406 1/20 0.31
▸ ALOX15 P16050 2/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ MAOA P21397 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ MAPT P10636 1/20 0.30

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
SCHEMBL4865387 0.82 GPR3 (0.30) CA1CA2HTR2AHTR2C
SCHEMBL19937131 0.79 ACHE (0.34) ACHECA1CA2HTR2AHTR2C
SCHEMBL9999764 0.79 ACHE (0.47) ACHEHTR2AHTR2CALOX15MAPK1
SCHEMBL13303896 0.79 KDM4E (0.34) ACHECA1CA2HTR2AHTR2C
SCHEMBL12648877 0.77 KDM4E (0.36) ACHECA1CA2HTR2AHTR2C
SCHEMBL12939244 0.77 L3MBTL1 (0.48) MAPK1CYP1A2KDM4EMAPT
SCHEMBL23188707 0.76 ALDH1A1 (0.38) ACHECYP1A2CYP2D6KDM4E
SCHEMBL14050165 0.76 KDM4E (0.47) ACHEKDM4E
SCHEMBL17194083 0.76 CYP1A2 (0.53) CA1CA2HTR6MAOACYP1A2
SCHEMBL17381333 0.76 TSHR (0.39) ACHEHTR2AHTR2CALOX15MAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3763801-B1 QUANTUM DOT-CONTAINING MATERIAL, METHOD OF PREPARING THE SAME, AND OPTICAL MEMBER AND APPAPRATUS INCLUDING THE QUANTUM DOT-CONTAINING MATERIAL SAMSUNG DISPLAY CO LTD (KR) 2022-05-04 — — EP disclosed
EP-3715437-B1 COMPOSITION AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2021-12-01 — — EP disclosed
EP-3715436-B1 COMPOSITION AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2021-12-01 — — EP disclosed
EP-3428149-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2021-07-28 — — EP disclosed
EP-3392258-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2020-07-15 — — EP disclosed
EP-3381926-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOUND INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2020-02-12 — — EP disclosed
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