SCHEMBL903971

SCHEMBL903971

CCc1cnc(N2CC3C(COc4ccc(Cl)nc4)[C@H]3C2)nc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 8/20 0.47
CHRNB2 P17787 10/20 0.45
CHRNA4 P43681 10/20 0.45
CHRNB4 P30926 5/20 0.45
CHRNB1 P11230 1/20 0.45
CHRNB3 Q05901 1/20 0.45
CHRNA7 P36544 1/20 0.44
CYP2D6 P10635 4/20 0.41
GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL10068058 0.81 GPR119 (0.47) CHRNA7GPR119
SCHEMBL903901 0.80 HDAC3 (0.41) GPR119
SCHEMBL10068055 0.80 HDAC3 (0.36) CYP2D6GPR119
SCHEMBL10067703 0.78 GPR119 (0.45) CHRNA7CYP2D6GPR119
SCHEMBL903926 0.78 GPR119 (0.47) GPR119
SCHEMBL10067704 0.78 GPR119 (0.45) CHRNA7CYP2D6GPR119
SCHEMBL903982 0.78 GPR119 (0.47) GPR119
SCHEMBL904019 0.77 GPR119 (0.46) CHRNA7GPR119
SCHEMBL904171 0.77 GPR119 (0.41) CHRNA7GPR119
SCHEMBL904161 0.76 GPR119 (0.45) 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