SCHEMBL904069

SCHEMBL904069

C[C@@]12CN(c3ncc(C4CC4)cn3)CC1[C@H]2COc1ccc(-c2ccncc2F)nc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.33
ACACB O00763 5/20 0.31
GRM2 Q14416 1/20 0.31
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 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
SCHEMBL904071 0.90 GPR119 (0.33) GPR119GRM2
SCHEMBL904072 0.88 ACACB (0.33) GPR119ACACBGRM2
SCHEMBL903979 0.81 MKNK1 (0.35) GPR119ACACBMKNK1MKNK2
SCHEMBL904068 0.77 GPR119 (0.46) GPR119
SCHEMBL10067592 0.72 GPR119 (0.36) GPR119ACACBGRM2MKNK1MKNK2
SCHEMBL904073 0.72 GPR119 (0.36) GPR119ACACBGRM2MKNK1MKNK2
SCHEMBL904171 0.70 GPR119 (0.41) GPR119GRM2
SCHEMBL904041 0.70 GPR119 (0.35) GPR119ACACBMKNK1MKNK2
SCHEMBL904032 0.69 ACACB (0.37) GPR119ACACBGRM2
SCHEMBL10068006 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