SCHEMBL30018332

SCHEMBL30018332

COc1cc(-c2ccc(Cn3ncc4cc(Cl)ccc43)nc2)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 17/20 0.47
▸ GRIN2B Q13224 17/20 0.47
▸ GRM2 Q14416 1/20 0.43
▸ CACNA1H O95180 1/20 0.43
▸ GRM5 P41594 1/20 0.41

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
SCHEMBL30017822 0.91 GRIN1 (0.45) GRIN1GRIN2BGRM2GRM5
SCHEMBL30017809 0.88 CACNA1H (0.42) GRIN1GRIN2BCACNA1H
SCHEMBL30018361 0.83 QPCT (0.47) GRIN1GRIN2BCACNA1H
SCHEMBL30017917 0.82 GRIN2B (0.47) GRIN1GRIN2BGRM2CACNA1H
SCHEMBL30017771 0.81 CACNA1H (0.41) GRIN1GRIN2BCACNA1H
SCHEMBL30103059 0.80 KDM4E (0.40) GRIN1GRIN2BGRM2CACNA1HGRM5
SCHEMBL24784624 0.79 CACNA1H (0.39) GRIN1GRIN2BGRM2CACNA1HGRM5
SCHEMBL30103038 0.79 CACNA1H (0.39) GRIN1GRIN2BGRM2CACNA1HGRM5
SCHEMBL24784623 0.77 GRM5 (0.46) GRIN1GRIN2BGRM5
SCHEMBL30103001 0.77 GRM5 (0.46) GRIN1GRIN2BGRM5

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-2022257960-A1 BICYCLIC COMPOUND FOR THE TREATMENT OF EP2 AND EP4 RECEPTOR-MEDIATED DISEASES 武汉人福创新药物研发中心有限公司 2022-12-15 — — WO disclosed
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