SCHEMBL31236983

SCHEMBL31236983

COc1cc2c(cc1Br)-c1c(c(C(=O)N3CCOCC3(C)C)nn1-c1cc(Cl)cc(Cl)c1)OCC2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.38
▸ GLA P06280 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ PIK3R2 O00459 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ PIK3R5 Q8WYR1 1/20 0.31
▸ PIK3R3 Q92569 1/20 0.31
▸ PDE7A Q13946 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ PDE10A Q9Y233 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
SCHEMBL27117858 0.94 GRM5 (0.38) GRM5GLAKMT2APIK3CDPIK3R2
SCHEMBL30759571 0.94 GRM5 (0.38) GRM5GLAKMT2APIK3CDPIK3R2
SCHEMBL27119377 0.89 GRM5 (0.38) GRM5GLAKMT2APIK3CDPIK3R2
SCHEMBL30759592 0.89 GRM5 (0.38) GRM5GLAKMT2APIK3CDPIK3R2
SCHEMBL27118703 0.88 GRM5 (0.38) GRM5GLAKMT2APIK3CDPIK3R2
SCHEMBL30759519 0.85 GRM5 (0.36) GRM5GLAKMT2APIK3CDPIK3R2
SCHEMBL27118043 0.85 GRM5 (0.36) GRM5GLAKMT2APIK3CDPIK3R2
SCHEMBL31236998 0.85 GRM5 (0.35) GRM5
SCHEMBL31236950 0.84 GRM5 (0.37) GRM5GLAKMT2APIK3CDPIK3R2
SCHEMBL31236960 0.83 CYP1A2 (0.33) KMT2APIK3CDPIK3R2PIK3CAPIK3CB

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-2024263803-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-12-26 — — WO disclosed
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