SCHEMBL10067600

SCHEMBL10067600

CCc1cnc(N2CC3[C@@H](COc4c(F)cc(-c5ccc(S(C)(=O)=O)cn5)cc4F)[C@@H]3C2)nc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 20/20 0.44
CYP3A4 P08684 1/20 0.38
KCNH2 Q12809 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
SCHEMBL904082 0.90 GPR119 (0.47) GPR119
SCHEMBL903891 0.90 GPR119 (0.47) GPR119
SCHEMBL1935900 0.86 GPR119 (0.55) GPR119
SCHEMBL10067420 0.85 GPR119 (0.47) GPR119
SCHEMBL904023 0.84 GPR119 (0.41) GPR119
SCHEMBL10068069 0.83 GPR119 (0.45) GPR119CYP3A4KCNH2
SCHEMBL10067702 0.83 GPR119 (0.45) GPR119CYP3A4KCNH2
SCHEMBL903906 0.82 GPR119 (0.51) GPR119
SCHEMBL903960 0.80 GPR119 (0.45) GPR119
SCHEMBL10067597 0.80 GPR119 (0.54) GPR119CYP3A4KCNH2

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