SCHEMBL8501696

SCHEMBL8501696

NCCCCCCCCCCCCCCCc1ccccc1

nearest known ligand 0.95

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.95
▸ HTR2A P28223 2/20 0.67
▸ CYP2A6 P11509 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ TAAR1 Q96RJ0 1/20 0.64
▸ LOXL2 Q9Y4K0 1/20 0.64
▸ HRH1 P35367 4/20 0.61
▸ SIGMAR1 Q99720 5/20 0.60
▸ MAOB P27338 2/20 0.60

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
SCHEMBL5987924 1.00 MAOA (0.95) MAOAHTR2ACYP2A6SMN1; SMN2TAAR1
4-Phenyl-Butylamine SCHEMBL8003688 1.00 MAOA (0.95) MAOAHTR2ACYP2A6SMN1; SMN2TAAR1
SCHEMBL130279 1.00 MAOA (0.95) MAOAHTR2ACYP2A6SMN1; SMN2TAAR1
SCHEMBL7337107 1.00 MAOA (0.95) MAOAHTR2ACYP2A6SMN1; SMN2TAAR1
SCHEMBL7902062 1.00 MAOA (0.95) MAOAHTR2ACYP2A6SMN1; SMN2TAAR1
SCHEMBL23070514 1.00 MAOA (0.95) MAOAHTR2ACYP2A6SMN1; SMN2TAAR1
SCHEMBL3124979 1.00 MAOA (0.95) MAOAHTR2ACYP2A6SMN1; SMN2TAAR1
SCHEMBL4869500 1.00 MAOA (0.95) MAOAHTR2ACYP2A6SMN1; SMN2TAAR1
SCHEMBL169336 1.00 MAOA (0.95) MAOAHTR2ACYP2A6SMN1; SMN2TAAR1
SCHEMBL783035 1.00 MAOA (0.95) MAOAHTR2ACYP2A6SMN1; SMN2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116514506-A High fluorine content gypsum water-resistant thistle board 中建材创新科技研究院有限公司 2023-08-01 — — CN claimed
CN-113759004-A Quality evaluation method for establishing maca based on UPLC-UV-Q-TOF MS 中国中医科学院中药研究所 2021-12-07 — — CN claimed
US-4450114-A Process for production of sulfuric acid semiesters SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-05-22 — — US claimed
US-4351765-A Process for the production of compounds having in the molecule at least one β-sulfatoethyl-sulfone group and at least one sulfonic acid group SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-09-28 — — US claimed
CN-116514506-A High fluorine content gypsum water-resistant thistle board 中建材创新科技研究院有限公司 2023-08-01 — — CN disclosed
CN-113759004-A Quality evaluation method for establishing maca based on UPLC-UV-Q-TOF MS 中国中医科学院中药研究所 2021-12-07 — — CN disclosed
EP-3624596-A1 METHOD FOR MODULATING THE FLAVOR PROFILE OF A FOOD International Flavors & Fragrances Inc. (US) 2020-03-25 — — EP disclosed
US-20200068928-A1 METHOD FOR MODULATING THE FLAVOR PROFILE OF A FOOD INTERNATIONAL FLAVORS & FRAGRANCES INC. 2020-03-05 — — US disclosed
WO-2018213154-A1 METHOD FOR MODULATING THE FLAVOR PROFILE OF A FOOD INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2018-11-22 — — WO disclosed
EP-0688679-B1 Method for reversible thermosensitive recording TOPPAN PRINTING CO LTD (JP) 1999-07-14 — — EP disclosed
EP-0418399-B1 COMPOSITION FOR REVERSIBLE THERMAL RECORDING MEDIUM TOPPAN PRINTING CO LTD (JP) 1996-08-28 — — EP disclosed
EP-0688679-A1 Method for reversible thermosensitive recording Toppan Printing Co., Ltd. (JP) 1995-12-27 — — EP disclosed
US-5178669-A COMPOSITION FOR REVERSIBLE THERMAL RECORDING MEDIA TOPPAN PRINTING CO., LTD. (JP) 1993-01-12 — — US disclosed
EP-0418399-A1 COMPOSITION FOR REVERSIBLE THERMAL RECORDING MEDIUM Toppan Printing Co., Ltd. (JP) 1991-03-27 — — EP disclosed
US-4450114-A Process for production of sulfuric acid semiesters SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-05-22 — — US disclosed
US-4351765-A Process for the production of compounds having in the molecule at least one β-sulfatoethyl-sulfone group and at least one sulfonic acid group SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-09-28 — — US disclosed
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