SCHEMBL28292973

SCHEMBL28292973

CC(c1ccccc1)n1ccnc1CC1(O)CCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 7/20 0.43
OPRK1 P41145 7/20 0.43
OPRM1 P35372 4/20 0.41
OPRL1 P41146 3/20 0.38
BRD4 O60885 1/20 0.38
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
USP19 O94966 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2D6 P10635 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL20508884 0.76 MEN1 (0.45) OPRD1OPRK1OPRM1BRD4MEN1
SCHEMBL3763386 0.76 MEN1 (0.45) OPRD1OPRK1OPRM1BRD4MEN1
SCHEMBL28294613 0.74 OPRD1 (0.53) OPRD1OPRK1OPRM1OPRL1BRD4
SCHEMBL28301285 0.73 BRD4 (0.40) OPRD1OPRK1OPRM1BRD4MEN1
SCHEMBL16136368 0.71 FPR2 (0.48) OPRD1OPRK1OPRM1BRD4ALDH1A1
SCHEMBL28780266 0.70 ALDH1A1 (0.47) OPRD1OPRK1OPRM1BRD4MEN1
SCHEMBL27762347 0.70 ALDH1A1 (0.47) OPRD1OPRK1OPRM1BRD4MEN1
SCHEMBL28957007 0.68 OPRD1 (0.39) OPRD1OPRK1OPRM1BRD4MEN1
SCHEMBL16133639 0.68 MAPT (0.46) OPRD1OPRK1OPRM1BRD4MEN1
Efetozole SCHEMBL21698044 0.68 BRD4 (0.51) OPRD1OPRK1OPRM1BRD4MEN1

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
CN-109776510-A A kind of N- substituted imidazole formate ester derivative and application thereof 成都安诺晨创医药科技有限公司 2019-05-21 CN disclosed