SCHEMBL31033196

SCHEMBL31033196

Cc1nc(N2CC3CC3C2)ccc1Cn1ncc(C(=O)O)n1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.47

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
SCHEMBL21712946 1.00 KLKB1 (0.47) KLKB1
SCHEMBL21712985 0.89 KLKB1 (0.46) KLKB1
SCHEMBL22166240 0.89 KLKB1 (0.44) KLKB1
SCHEMBL21713085 0.81 KLKB1 (0.61) KLKB1
SCHEMBL31033212 0.81 KLKB1 (0.61) KLKB1
SCHEMBL21736676 0.80 KLKB1 (0.60) KLKB1
SCHEMBL31741510 0.80 KLKB1 (0.60) KLKB1
SCHEMBL21712947 0.79 KLKB1 (0.59) KLKB1
SCHEMBL20541004 0.79 KLKB1 (0.61) KLKB1
SCHEMBL21736656 0.79 KLKB1 (0.49) 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