SCHEMBL31033243

SCHEMBL31033243

Cc1nc(N2CC3C(C2)C3(F)F)ccc1C=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 9/20 0.36
PDE10A Q9Y233 1/20 0.30
MEN1 O00255 1/20 0.30
GFER P55789 1/20 0.30
KMT2A Q03164 1/20 0.30
HKDC1 Q2TB90 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
GRM4 Q14833 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
NPC1 O15118 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL21713091 1.00 KLKB1 (0.36) KLKB1PDE10AMEN1GFERKMT2A
SCHEMBL23769652 0.85 PDE10A (0.30) PDE10A
SCHEMBL23769213 0.84 TRIM24 (0.33) PDE10A
SCHEMBL23769662 0.84 ALDH1A1 (0.33) PDE10AMEN1KMT2AKDM4EALDH1A1
SCHEMBL23754062 0.83 KLKB1 (0.32) KLKB1
SCHEMBL23843164 0.81 KLKB1 (0.37) KLKB1PDE10AKDM4EALDH1A1GAA
SCHEMBL23769542 0.81 KLKB1 (0.42) KLKB1
SCHEMBL26308009 0.81 KLKB1 (0.35) KLKB1
SCHEMBL21712992 0.80 SMPD3 (0.39) KLKB1PDE10A
SCHEMBL26311956 0.79 KLKB1 (0.44) 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
CN-116120287-B Heteroaromatic carboxamide derivatives as inhibitors of plasma kallikrein 勃林格殷格翰国际有限公司 2025-01-28 CN disclosed
CN-113039181-B Heteroaromatic carboxamide derivatives as inhibitors of plasma kallikrein 勃林格殷格翰国际有限公司 2024-08-13 CN disclosed