SCHEMBL31236958

SCHEMBL31236958

COc1cc2c(cc1-c1cncc(C(N)=O)c1)-c1c(c(C(=O)N3CCOCC3(C)C)nn1-c1cc(Cl)cc(Cl)c1)CCO2

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.33
▸ PIK3CD O00329 3/20 0.31
▸ PIK3R2 O00459 3/20 0.31
▸ PIK3CA P42336 3/20 0.31
▸ PIK3CB P42338 3/20 0.31
▸ PIK3CG P48736 3/20 0.31
▸ PIK3R5 Q8WYR1 3/20 0.31
▸ PIK3R3 Q92569 3/20 0.31
▸ GABRA5 P31644 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
SCHEMBL17382050 0.95 GRM5 (0.33) GRM5PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL30681670 0.95 GRM5 (0.33) GRM5PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL17382140 0.91 PIK3CD (0.33) GRM5PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL30759547 0.91 GRM5 (0.34) GRM5PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL27117594 0.91 GRM5 (0.34) GRM5PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL20731124 0.90 GRM5 (0.32) GRM5
SCHEMBL30681691 0.90 GRM5 (0.32) GRM5
SCHEMBL27118847 0.90 GRM5 (0.34) GRM5PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL31236965 0.89 GRM5 (0.36) GRM5PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL17381989 0.89 GRM5 (0.34) GRM5PIK3CDPIK3R2PIK3CAPIK3CB

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
Send feedback