SCHEMBL31741508

SCHEMBL31741508

COC(=O)c1cn(Cc2cnc(N3CC4CC4C3)nc2C)c2ncncc12

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 12/20 0.64
RBP4 P02753 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PDE5A O76074 4/20 0.33
CFD P00746 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL21736618 1.00 KLKB1 (0.64) KLKB1RBP4KDM4EPDE5ACFD
SCHEMBL26310964 1.00 KLKB1 (0.64) KLKB1RBP4KDM4EPDE5ACFD
SCHEMBL31741488 0.90 KLKB1 (0.65) KLKB1RBP4CFD
SCHEMBL21736641 0.90 KLKB1 (0.65) KLKB1RBP4CFD
SCHEMBL26310264 0.90 KLKB1 (0.65) KLKB1RBP4CFD
SCHEMBL21736634 0.89 KLKB1 (0.65) KLKB1KDM4ECFD
SCHEMBL21736858 0.88 KLKB1 (0.64) KLKB1
SCHEMBL31741485 0.88 KLKB1 (0.64) KLKB1
SCHEMBL24918401 0.87 KLKB1 (0.52) KLKB1OPRK1
SCHEMBL21713084 0.81 KLKB1 (0.43) KLKB1KDM4ECFD

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