SCHEMBL904059

SCHEMBL904059

CCc1cnc(N2CC3[C@@H](C2)[C@H]3COc2ccc(C3=CCN(S(C)(=O)=O)CC3)nc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.42
WNT3A P56704 1/20 0.39
CYP4F2 P78329 3/20 0.39
CYP4A11 Q02928 3/20 0.39
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
ENPP2 Q13822 1/20 0.35
PRMT5 O14744 1/20 0.35

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 1.00 GPR119 (0.42) GPR119WNT3ACYP4F2CYP4A11KDM4E
SCHEMBL904048 0.91 GPR119 (0.46) GPR119KDM4ENPC1RAB9ACCNT1
SCHEMBL903923 0.90 GPR119 (0.51) GPR119WNT3ACYP4F2CYP4A11CCNT1
SCHEMBL1092945 0.87 GPR119 (0.53) GPR119WNT3ACYP4F2CYP4A11KDM4E
SCHEMBL903996 0.83 GPR119 (0.40) GPR119WNT3ACYP4F2CYP4A11KDM4E
SCHEMBL903925 0.81 GPR119 (0.53) GPR119WNT3ACYP4F2CYP4A11
SCHEMBL904057 0.81 GPR119 (0.46) GPR119CCNT1CDK9ENPP2
SCHEMBL904166 0.81 GPR119 (0.45) GPR119CCNT1CDK9ENPP2
SCHEMBL903993 0.81 GPR119 (0.40) GPR119WNT3ACYP4F2CYP4A11CCNT1
SCHEMBL904056 0.81 GPR119 (0.40) GPR119WNT3ACYP4F2CYP4A11CCNT1

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