SCHEMBL28337074

SCHEMBL28337074

CCOCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.57

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
SCHEMBL17784852 0.90 KLKB1 (0.67) KLKB1
SCHEMBL17786796 0.85 KLKB1 (0.55) KLKB1
SCHEMBL21190225 0.85 KLKB1 (0.55) KLKB1
SCHEMBL31314351 0.85 KLKB1 (0.52) KLKB1
SCHEMBL21145617 0.83 KLKB1 (0.64) KLKB1
SCHEMBL21985437 0.82 KLKB1 (0.67) KLKB1
SCHEMBL17784845 0.81 KLKB1 (0.78) KLKB1
SCHEMBL29365582 0.81 KLKB1 (0.70) KLKB1
SCHEMBL28277692 0.81 KLKB1 (0.55) KLKB1
SCHEMBL21190114 0.79 KLKB1 (0.57) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113387933-A Pyrazole derivatives as plasma kallikrein inhibitors 卡尔维斯塔制药有限公司 2021-09-14 CN disclosed
CN-109311847-B Pyrazole derivatives as plasma kallikrein inhibitors 卡尔维斯塔制药有限公司 2021-07-06 CN disclosed
CN-107108576-B N- ((hetero) arylmethyl) -heteroaryl-carboxamide compounds as plasma kallikrein inhibitors 卡尔维斯塔制药有限公司 2020-03-10 CN disclosed
CN-110577519-A N- ((hetero) arylmethyl) -heteroaryl-carboxamide compounds as plasma kallikrein inhibitors 卡尔维斯塔制药有限公司 2019-12-17 CN disclosed