SCHEMBL10068064

SCHEMBL10068064

CCc1cnc(N2CC3C(COc4c(F)cc(-c5ccc(C#N)c(F)c5)cc4F)[C@@H]3C2)nc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 17/20 0.43
CYP11B2 P19099 17/20 0.43
EGLN2 Q96KS0 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
NSD2 O96028 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
SCHEMBL904014 0.89 HRH3 (0.45) EGLN2GPR119NSD2
SCHEMBL903941 0.83 GPR119 (0.35) GPR119
SCHEMBL903891 0.82 GPR119 (0.47) GPR119
SCHEMBL904082 0.82 GPR119 (0.47) GPR119
SCHEMBL904023 0.82 GPR119 (0.41) GPR119
SCHEMBL903943 0.81 GPR119 (0.39) GPR119
SCHEMBL903940 0.80 GPR119 (0.36) GPR119
SCHEMBL903931 0.80 GPR119 (0.35) GPR119
SCHEMBL10067600 0.76 GPR119 (0.44) GPR119
SCHEMBL903901 0.75 HDAC3 (0.41) 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