SCHEMBL904056

SCHEMBL904056

CC(C)(F)CN1CC2C(COc3ccc(C4=CCN(S(C)(=O)=O)CC4)nc3)[C@@H]2C1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.40
CYP4F2 P78329 3/20 0.39
CYP4A11 Q02928 3/20 0.39
WNT3A P56704 1/20 0.37
ENPP2 Q13822 1/20 0.35
CCNT1 O60563 4/20 0.34
CDK9 P50750 4/20 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
SCHEMBL903993 1.00 GPR119 (0.40) GPR119CYP4F2CYP4A11WNT3AENPP2
SCHEMBL978339 0.87 CYP4F2 (0.49) GPR119CYP4F2CYP4A11WNT3A
SCHEMBL903923 0.81 GPR119 (0.51) GPR119CYP4F2CYP4A11WNT3ACCNT1
SCHEMBL904059 0.81 GPR119 (0.42) GPR119CYP4F2CYP4A11WNT3AENPP2
SCHEMBL10067601 0.81 GPR119 (0.42) GPR119CYP4F2CYP4A11WNT3AENPP2
SCHEMBL982179 0.80 CYP4F2 (0.50) GPR119CYP4F2CYP4A11WNT3A
SCHEMBL9947664 0.80 CYP4F2 (0.48) GPR119CYP4F2CYP4A11WNT3A
SCHEMBL903995 0.78 GPR119 (0.45) GPR119CYP4F2CYP4A11
SCHEMBL978046 0.78 CYP4F2 (0.49) GPR119CYP4F2CYP4A11WNT3A
SCHEMBL903925 0.76 GPR119 (0.53) GPR119CYP4F2CYP4A11WNT3A

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