SCHEMBL31033221

SCHEMBL31033221

Cc1nc(N2CC3CC3C2)ccc1Cc1cc(C(=O)N[C@@H]2CCc3c(C)n[nH]c32)sc1C#N

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.81

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
SCHEMBL21712945 1.00 KLKB1 (0.81) KLKB1
SCHEMBL21736678 0.84 KLKB1 (0.80) KLKB1
SCHEMBL21747135 0.84 KLKB1 (0.80) KLKB1
SCHEMBL21746560 0.80 KLKB1 (0.55) KLKB1
SCHEMBL31033206 0.80 KLKB1 (0.55) KLKB1
SCHEMBL21712993 0.80 KLKB1 (0.55) KLKB1
SCHEMBL21713025 0.80 KLKB1 (0.58) KLKB1
SCHEMBL21713054 0.79 KLKB1 (0.64) KLKB1
SCHEMBL31033191 0.79 KLKB1 (0.64) KLKB1
SCHEMBL21712912 0.79 KLKB1 (0.63) KLKB1

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-113039181-B Heteroaromatic carboxamide derivatives as inhibitors of plasma kallikrein 勃林格殷格翰国际有限公司 2024-08-13 CN disclosed