SCHEMBL31741504

SCHEMBL31741504

Cc1nc(N2CC3CC3C2)ncc1Cn1cc(C(=O)N[C@@H]2CCc3c(C)n[nH]c32)c2cncnc21

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.81

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
SCHEMBL21736686 1.00 KLKB1 (0.81) KLKB1
SCHEMBL31741500 0.91 KLKB1 (0.82) KLKB1
SCHEMBL21736752 0.91 KLKB1 (0.82) KLKB1
SCHEMBL21736690 0.90 KLKB1 (0.81) KLKB1
SCHEMBL31741512 0.90 KLKB1 (0.81) KLKB1
SCHEMBL21736913 0.90 KLKB1 (0.66) KLKB1
SCHEMBL31741507 0.90 KLKB1 (0.66) KLKB1
SCHEMBL23769518 0.83 KLKB1 (0.74) KLKB1
SCHEMBL21736692 0.83 KLKB1 (0.60) KLKB1
SCHEMBL21736688 0.81 KLKB1 (0.82) 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
EP-3837252-B1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2025-12-10 EP disclosed