SCHEMBL22293282

SCHEMBL22293282

Cc1cc(CN(CCC2CCCCC2)c2nc(C=O)c(C)s2)ccc1OC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.35
ALOX5AP P20292 2/20 0.32
BCHE P06276 1/20 0.31
GRM2 Q14416 1/20 0.31
AVPR1B P47901 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL22293305 0.82 CNR1 (0.36) BCHE
SCHEMBL22293302 0.80 NR1D1 (0.37)
SCHEMBL22293268 0.79 KDM4E (0.36) BCHE
SCHEMBL22292917 0.71 ALDH1A1 (0.36) CHRM2CHRM1CHRM3
SCHEMBL18975172 0.70 TRPM8 (0.39) AVPR1B
SCHEMBL22293291 0.70 KDM4E (0.37) HPGD
SCHEMBL18975180 0.68 CXCR3 (0.39) AVPR1B
SCHEMBL18974573 0.67 CXCR3 (0.38) AVPR1B
SCHEMBL22292930 0.67 PTGDR2 (0.37)
SCHEMBL22293080 0.66 BCHE (0.35) BCHE

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-3388425-B1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LTD (JP) 2020-08-05 EP disclosed