SCHEMBL25776944

SCHEMBL25776944

CCSc1cc(N2CCOc3cc(F)ccc3C2)cc(C)c1NC(=O)C(C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 18/20 0.66
▸ RIPK1 Q13546 2/20 0.42
▸ KCNQ3 O43525 1/20 0.35

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
SCHEMBL30487412 0.90 KCNQ2 (0.82) KCNQ2KCNQ3
SCHEMBL25243119 0.90 KCNQ2 (0.82) KCNQ2KCNQ3
SCHEMBL25241060 0.80 KCNQ2 (0.69) KCNQ2RIPK1KCNQ3
SCHEMBL31020074 0.80 KCNQ2 (0.53) KCNQ2RIPK1
SCHEMBL25292880 0.80 KCNQ2 (0.53) KCNQ2RIPK1
SCHEMBL23177736 0.79 KCNQ2 (1.00) KCNQ2KCNQ3
SCHEMBL30487472 0.79 KCNQ2 (0.75) KCNQ2RIPK1KCNQ3
SCHEMBL25245957 0.78 KCNQ2 (0.51) KCNQ2RIPK1
SCHEMBL30487373 0.78 KCNQ2 (0.51) KCNQ2RIPK1
SCHEMBL25774939 0.77 KCNQ2 (0.75) KCNQ2RIPK1KCNQ3

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-2023125935-A1 BENZOPYRIDINE DERIVATIVE REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2023-07-06 — — WO disclosed
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