SCHEMBL17787153

SCHEMBL17787153

Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4cnc5[nH]cc(Cl)c5c4)c(N)n3)cc2)c1

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.78

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
SCHEMBL17786826 0.82 KLKB1 (0.66) KLKB1
SCHEMBL17786824 0.82 KLKB1 (0.54) KLKB1
SCHEMBL17787016 0.82 KLKB1 (0.56) KLKB1
SCHEMBL17786815 0.82 KLKB1 (0.58) KLKB1
SCHEMBL17786999 0.81 KLKB1 (0.57) KLKB1
SCHEMBL17786862 0.79 KLKB1 (0.60) KLKB1
SCHEMBL17786929 0.76 KLKB1 (0.63) KLKB1
SCHEMBL21177369 0.74 KLKB1 (0.76) KLKB1
SCHEMBL17786954 0.74 KLKB1 (0.75) KLKB1
SCHEMBL17696322 0.73 KLKB1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016083816-A1 N-((HETEROARYLMETHYL)-HETEROARYL-CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-06-02 — — WO claimed
WO-2016083816-A1 N-((HETEROARYLMETHYL)-HETEROARYL-CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-06-02 — — WO disclosed
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