SCHEMBL904166

SCHEMBL904166

CCc1cnc(N2CC3[C@@H](COc4c(F)cc(C5=CCN(S(C)(=O)=O)CC5)cc4F)[C@@H]3C2)nc1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.45
CCNT1 O60563 7/20 0.38
CDK9 P50750 7/20 0.38
ENPP2 Q13822 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
SCHEMBL904048 0.86 GPR119 (0.46) GPR119CCNT1CDK9ENPP2
SCHEMBL904059 0.81 GPR119 (0.42) GPR119CCNT1CDK9ENPP2
SCHEMBL10067601 0.81 GPR119 (0.42) GPR119CCNT1CDK9ENPP2
SCHEMBL10067595 0.80 CCNT1 (0.42) CCNT1CDK9
SCHEMBL904082 0.79 GPR119 (0.47) GPR119
SCHEMBL903891 0.79 GPR119 (0.47) GPR119
SCHEMBL10067589 0.78 CCNT1 (0.36) GPR119CCNT1CDK9
SCHEMBL904052 0.78 CCNT1 (0.36) GPR119CCNT1CDK9
SCHEMBL904023 0.77 GPR119 (0.41) GPR119
SCHEMBL10067600 0.77 GPR119 (0.44) 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