SCHEMBL904048

SCHEMBL904048

CCc1cnc(N2CC3[C@@H](COc4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)[C@@H]3C2)nc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.46
ENPP2 Q13822 2/20 0.39
CCNT1 O60563 3/20 0.39
CDK9 P50750 3/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SYK P43405 1/20 0.36

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
SCHEMBL10067601 0.91 GPR119 (0.42) GPR119ENPP2CCNT1CDK9KDM4E
SCHEMBL904059 0.91 GPR119 (0.42) GPR119ENPP2CCNT1CDK9KDM4E
SCHEMBL904057 0.90 GPR119 (0.46) GPR119ENPP2CCNT1CDK9SYK
SCHEMBL904166 0.86 GPR119 (0.45) GPR119ENPP2CCNT1CDK9
SCHEMBL903923 0.81 GPR119 (0.51) GPR119CCNT1CDK9
SCHEMBL904119 0.78 GPR119 (0.47) GPR119
SCHEMBL903984 0.78 GPR119 (0.50) GPR119KDM4ENPC1RAB9A
SCHEMBL1092945 0.78 GPR119 (0.53) GPR119KDM4ENPC1RAB9A
SCHEMBL10067420 0.77 GPR119 (0.47) GPR119
SCHEMBL904117 0.75 GPR119 (0.51) GPR119

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
WO-2012041158-A1 TRICYCLIC COMPOUND, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-04-05 WO disclosed