SCHEMBL904072

SCHEMBL904072

CCCc1cnc(N2CC3[C@@H](COc4ccc(-c5ccncc5F)nc4)[C@]3(C)C2)nc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.33
GRM2 Q14416 1/20 0.33
GPR119 Q8TDV5 7/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL904071 0.89 GPR119 (0.33) GRM2GPR119
SCHEMBL904069 0.88 GPR119 (0.33) ACACBGRM2GPR119
SCHEMBL904032 0.82 ACACB (0.37) ACACBGRM2GPR119MEN1KMT2A
SCHEMBL904171 0.75 GPR119 (0.41) GRM2GPR119
SCHEMBL10068007 0.71 GPR119 (0.52) GPR119MEN1KMT2ANPC1TP53
SCHEMBL10067592 0.71 GPR119 (0.36) ACACBGRM2GPR119
SCHEMBL904073 0.71 GPR119 (0.36) ACACBGRM2GPR119
SCHEMBL904041 0.69 GPR119 (0.35) ACACBGPR119
SCHEMBL903979 0.68 MKNK1 (0.35) ACACBGPR119
SCHEMBL904109 0.68 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