SCHEMBL903941

SCHEMBL903941

CCc1cnc(N2CC3C(COc4c(F)cc(-c5cncnc5)cc4F)C3C2)nc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.35
DHODH Q02127 1/20 0.31
KCNH2 Q12809 1/20 0.31
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNB3 Q05901 1/20 0.30

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
SCHEMBL903940 0.84 GPR119 (0.36) GPR119DHODHKCNH2
SCHEMBL903931 0.84 GPR119 (0.35) GPR119DHODHKCNH2
SCHEMBL904014 0.84 HRH3 (0.45) GPR119
SCHEMBL1937881 0.83 GPR119 (0.49) GPR119KCNH2
SCHEMBL10068064 0.83 CYP11B1 (0.43) GPR119
SCHEMBL903891 0.82 GPR119 (0.47) GPR119
SCHEMBL904023 0.82 GPR119 (0.41) GPR119
SCHEMBL904082 0.82 GPR119 (0.47) GPR119
SCHEMBL903943 0.81 GPR119 (0.39) GPR119KCNH2
SCHEMBL903909 0.80 GPR119 (0.33) 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