SCHEMBL903984

SCHEMBL903984

CCc1cnc(N2CC3[C@@H](COc4ccc(C5CCN(S(C)(=O)=O)CC5)nc4)[C@@H]3C2)nc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.50
CYP4F2 P78329 3/20 0.43
CYP4A11 Q02928 3/20 0.43
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PRMT5 O14744 1/20 0.38
KDR P35968 1/20 0.36
ETV6 P41212 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
SCHEMBL1093041 0.87 GPR119 (0.56) GPR119CYP4F2CYP4A11KDM4ENPC1
SCHEMBL10067601 0.80 GPR119 (0.42) GPR119CYP4F2CYP4A11KDM4ENPC1
SCHEMBL904059 0.80 GPR119 (0.42) GPR119CYP4F2CYP4A11KDM4ENPC1
SCHEMBL904048 0.78 GPR119 (0.46) GPR119KDM4ENPC1RAB9A
SCHEMBL1091938 0.76 GPR119 (0.50) GPR119CYP4F2CYP4A11KDM4ENPC1
SCHEMBL903971 0.75 CHRNA3 (0.47) GPR119
SCHEMBL10067420 0.74 GPR119 (0.47) GPR119
SCHEMBL1092523 0.74 GPR119 (0.53) GPR119CYP4F2CYP4A11KDM4ENPC1
SCHEMBL904119 0.74 GPR119 (0.47) GPR119
SCHEMBL904090 0.73 GPR119 (0.41) GPR119KDM4ENPC1RAB9A

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