SCHEMBL7826537

SCHEMBL7826537

[CH2]CC(=O)N(C)c1ccccc1C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.45
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HSD17B1 P14061 7/20 0.42
HSD17B2 P37059 6/20 0.42
LMNA P02545 3/20 0.41
CYP3A4 P08684 2/20 0.41
NOTUM Q6P988 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL4781144 0.83 CYP3A4 (0.46) TRPM8HPGDTSHRHTTSIGMAR1
SCHEMBL11663203 0.81 ALDH1A1 (0.55) TRPM8HPGDTSHRHTTSIGMAR1
SCHEMBL26525031 0.79 TRPM8 (0.43) TRPM8HPGDTSHRHTTSIGMAR1
SCHEMBL31443047 0.79 TRPM8 (0.46) TRPM8HPGDTSHRHTTSIGMAR1
SCHEMBL7815992 0.79 SIGMAR1 (0.47) SIGMAR1ALDH1A1HSD17B1HSD17B2LMNA
SCHEMBL7828940 0.78 TP53 (0.49) TRPM8TSHRALDH1A1LMNACYP3A4
SCHEMBL12550525 0.78 ALDH1A1 (0.53) TRPM8TSHRSIGMAR1ALDH1A1HSD17B1
SCHEMBL7824932 0.77 TSPO (0.44) ALDH1A1LMNA
SCHEMBL13041465 0.77 ALDH1A1 (0.43) TRPM8HPGDTSHRHTTSIGMAR1
SCHEMBL12679911 0.77 HPGD (0.44) TRPM8HPGDTSHRHTTSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 EP disclosed
US-5840895-A INTERMEDIATES FOR ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1998-11-24 US disclosed
US-5686442-A ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-11-11 US disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed