SCHEMBL31033191

SCHEMBL31033191

Cc1nc(N2CC3CC3C2)ccc1Cc1cc(C(=O)O)sc1C#N

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 18/20 0.64
RBP4 P02753 2/20 0.36

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
SCHEMBL21713054 1.00 KLKB1 (0.64) KLKB1RBP4
SCHEMBL21712912 0.92 KLKB1 (0.63) KLKB1
SCHEMBL21736729 0.91 KLKB1 (0.54) KLKB1
SCHEMBL31033221 0.79 KLKB1 (0.81) KLKB1
SCHEMBL21712945 0.79 KLKB1 (0.81) KLKB1
SCHEMBL31033232 0.78 KLKB1 (0.61) KLKB1RBP4
SCHEMBL21712970 0.78 KLKB1 (0.61) KLKB1RBP4
SCHEMBL21713078 0.77 KLKB1 (0.48) KLKB1
SCHEMBL21712940 0.76 KLKB1 (0.47) KLKB1
SCHEMBL23769647 0.71 KLKB1 (0.54) KLKB1RBP4

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