SCHEMBL903899

SCHEMBL903899

CCc1cnc(N2CC3[C@@H](COc4cc(F)c(-c5ccncc5)c(F)c4)[C@@H]3C2)nc1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.37
KCNH2 Q12809 1/20 0.34
NMT1 P30419 1/20 0.32
OGA O60502 1/20 0.32

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
SCHEMBL903960 0.85 GPR119 (0.45) GPR119
SCHEMBL10068058 0.82 GPR119 (0.47) GPR119
SCHEMBL10067579 0.81 GPR119 (0.38) GPR119KCNH2
SCHEMBL903931 0.78 GPR119 (0.35) GPR119KCNH2OGA
SCHEMBL904171 0.78 GPR119 (0.41) GPR119KCNH2
SCHEMBL903941 0.75 GPR119 (0.35) GPR119KCNH2
SCHEMBL903940 0.74 GPR119 (0.36) GPR119KCNH2OGA
SCHEMBL904117 0.74 GPR119 (0.51) GPR119
SCHEMBL904116 0.74 GPR119 (0.39) GPR119KCNH2
SCHEMBL903971 0.74 CHRNA3 (0.47) 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