SCHEMBL23999331

SCHEMBL23999331

CNC1N=C(c2ccccc2F)c2ccccc2NC1=O

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 13/20 0.67
CCKAR P32238 9/20 0.65

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
SCHEMBL9529673 0.83 CCKBR (0.64) CCKBRCCKAR
SCHEMBL24611857 0.83 CCKBR (0.64) CCKBRCCKAR
SCHEMBL9529682 0.83 CCKBR (0.64) CCKBRCCKAR
Bromide SCHEMBL8611955 0.82 CCKBR (0.62) CCKBRCCKAR
SCHEMBL10683445 0.81 CCKBR (0.54) CCKBRCCKAR
SCHEMBL9526643 0.80 CCKBR (1.00) CCKBRCCKAR
SCHEMBL7593098 0.80 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9525841 0.80 CCKBR (0.62) CCKBRCCKAR
SCHEMBL12214181 0.80 CCKBR (0.57) CCKBRCCKAR
SCHEMBL8535205 0.79 CCKBR (0.67) CCKBRCCKAR

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-3497096-B1 AN ANTIMICROBIAL COMPOUND THE UNIV OF DURHAM (GB) 2021-11-10 EP disclosed