SCHEMBL29906644

SCHEMBL29906644

Cc1nc(N2CC3(CC3)C2)ccc1Cn1cc(C(=O)O)cn1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.60

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
SCHEMBL21713003 1.00 KLKB1 (0.60) KLKB1
SCHEMBL30140695 0.96 KLKB1 (0.56) KLKB1
SCHEMBL23469682 0.93 KLKB1 (0.60) KLKB1
SCHEMBL23769626 0.87 KLKB1 (0.48) KLKB1
SCHEMBL23769195 0.87 KLKB1 (0.47) KLKB1
SCHEMBL23769637 0.87 KLKB1 (0.47) KLKB1
SCHEMBL23769198 0.87 KLKB1 (0.49) KLKB1
SCHEMBL24105354 0.86 KLKB1 (0.51) KLKB1
SCHEMBL23769171 0.86 KLKB1 (0.47) KLKB1
SCHEMBL23769681 0.85 KLKB1 (0.46) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116120287-B Heteroaromatic carboxamide derivatives as inhibitors of plasma kallikrein 勃林格殷格翰国际有限公司 2025-01-28 CN disclosed
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
CN-116120287-A Heteroaromatic carboxamide derivatives as inhibitors of plasma kallikrein 勃林格殷格翰国际有限公司 2023-05-16 CN disclosed
CN-110546146-B Heteroaryl carboxamide derivatives as plasma kallikrein inhibitors 勃林格殷格翰国际有限公司 2023-02-21 CN disclosed
CN-115052873-A Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors 勃林格殷格翰国际有限公司 2022-09-13 CN disclosed