SCHEMBL21746982

SCHEMBL21746982

Cc1nc(N2CC3C(C2)C3(F)F)ccc1Cn1cc(C(=O)NC2CCc3c(C)n[nH]c32)cn1

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.80

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
SCHEMBL31033219 1.00 KLKB1 (0.80) KLKB1
SCHEMBL21712967 1.00 KLKB1 (0.80) KLKB1
SCHEMBL31033202 1.00 KLKB1 (0.80) KLKB1
SCHEMBL21713004 1.00 KLKB1 (0.80) KLKB1
SCHEMBL21713000 0.90 KLKB1 (0.79) KLKB1
SCHEMBL31033233 0.90 KLKB1 (0.79) KLKB1
SCHEMBL31033215 0.90 KLKB1 (0.79) KLKB1
SCHEMBL21712943 0.90 KLKB1 (0.79) KLKB1
SCHEMBL21712939 0.90 KLKB1 (0.79) KLKB1
SCHEMBL31033244 0.90 KLKB1 (0.79) 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
WO-2020035540-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-02-20 WO disclosed