SCHEMBL29790987

SCHEMBL29790987

N#CCc1ccc2c(c1)OCCC2

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.46

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
SCHEMBL4133763 1.00 KCNH2 (0.46) KCNH2
SCHEMBL15800504 0.97 KCNH2 (0.43) KCNH2
SCHEMBL3642604 0.90 CHRM2 (0.47) KCNH2
SCHEMBL4133761 0.87 CTNNB1 (0.43)
SCHEMBL24502844 0.84 KCNH2 (0.44) KCNH2
SCHEMBL17030555 0.84 CTNNB1 (0.40)
SCHEMBL10157959 0.78 KCNH2 (0.49) KCNH2
SCHEMBL31061889 0.78 KCNH2 (0.49) KCNH2
SCHEMBL14079587 0.78 KCNH2 (0.46) KCNH2
SCHEMBL28841074 0.78 KCNH2 (0.46) KCNH2

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-114907389-A Boronic acid derivatives 首药控股(北京)股份有限公司 2022-08-16 CN disclosed