SCHEMBL14923238

SCHEMBL14923238

CCCC(CCC)n1c(=O)[nH]c2ccc(OCC)cc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.53
▸ HSD17B10 Q99714 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ ESR2 Q92731 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HPGD P15428 2/20 0.41
▸ PGR P06401 4/20 0.41
▸ PSMB8 P28062 1/20 0.39
▸ OPRM1 P35372 1/20 0.38

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
SCHEMBL2311389 0.73 DAO (0.45) MAOBHSD17B10MAPTALDH1A1KDM4E
SCHEMBL891520 0.72 MAOB (0.53) MAOBHSD17B10MAPTESR2ALDH1A1
SCHEMBL14365712 0.72 NPC1 (0.41) HSD17B10MAPTALDH1A1KDM4EMEN1
SCHEMBL24747270 0.71 POLB (0.56) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL14028247 0.71 HTR1A (0.48) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL8886041 0.71 ATM (0.50) MAOBHSD17B10MAPTESR2ALDH1A1
SCHEMBL8884813 0.71 MAOB (0.61) MAOBHSD17B10MAPTESR2ALDH1A1
SCHEMBL8883187 0.70 OPRM1 (0.54) HSD17B10MAPTESR2ALDH1A1PGR
SCHEMBL8885801 0.70 HSD17B10 (0.47) MAOBHSD17B10MAPTESR2ALDH1A1
SCHEMBL8885180 0.70 HSD17B10 (0.44) MAOBHSD17B10MAPTESR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004182-B1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2013-05-08 — — EP disclosed
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