SCHEMBL31020108

SCHEMBL31020108

CC(=O)Nc1c(C)cc(N2CCc3cc(F)ccc3C2)cc1C

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 16/20 0.73
KCNQ3 O43525 1/20 0.42
MAOB P27338 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
NOTUM Q6P988 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
SCHEMBL30487393 0.92 KCNQ2 (0.74) KCNQ2KCNQ3MAOB
SCHEMBL25245172 0.87 KCNQ2 (0.69) KCNQ2KCNQ3MAOB
SCHEMBL31546557 0.86 KCNQ2 (0.68) KCNQ2
SCHEMBL25287271 0.85 KCNQ2 (0.73) KCNQ2KCNQ3
SCHEMBL31019993 0.85 KCNQ2 (0.73) KCNQ2KCNQ3
SCHEMBL31020029 0.85 KCNQ2 (0.71) KCNQ2KCNQ3MAOB
Azetukalner SCHEMBL1000065 0.85 KCNQ2 (1.00) KCNQ2KCNQ3
SCHEMBL25292487 0.85 KCNQ2 (0.71) KCNQ2KCNQ3MAOB
Azetukalner SCHEMBL30429530 0.85 KCNQ2 (1.00) KCNQ2KCNQ3
SCHEMBL25775299 0.85 KCNQ2 (0.66) KCNQ2

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
CN-118451079-A Benzopiperidine derivative modulators, methods of preparation and uses thereof 上海翰森生物医药科技有限公司 2024-08-06 CN disclosed