SCHEMBL21746985

SCHEMBL21746985

Cc1nc(N2CCCCC2)ccc1Cn1cc(C(=O)NC2CCc3c2n[nH]c3C)cn1

nearest known ligand 0.98

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.98

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
SCHEMBL21713102 1.00 KLKB1 (0.98) KLKB1
SCHEMBL21747024 1.00 KLKB1 (0.98) KLKB1
SCHEMBL21712926 1.00 KLKB1 (0.98) KLKB1
SCHEMBL21713061 0.99 KLKB1 (1.00) KLKB1
SCHEMBL21736923 0.93 KLKB1 (0.88) KLKB1
SCHEMBL21713076 0.91 KLKB1 (0.90) KLKB1
SCHEMBL21712986 0.91 KLKB1 (1.00) KLKB1
SCHEMBL21713068 0.91 KLKB1 (0.88) KLKB1
SCHEMBL21712917 0.91 KLKB1 (0.93) KLKB1
SCHEMBL21747145 0.91 KLKB1 (0.88) 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