SCHEMBL22293189

SCHEMBL22293189

Cc1sc(N(CCc2ccc(C#N)cc2)CC2CCCCC2)nc1C=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.33
OPRM1 P35372 3/20 0.32
OPRD1 P41143 3/20 0.32
OPRK1 P41145 3/20 0.32
FNTA P49354 2/20 0.32
FNTB P49356 2/20 0.32
PGGT1B P53609 2/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
CNR2 P34972 1/20 0.32
HRH3 Q9Y5N1 4/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
ITK Q08881 2/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL22293053 0.83 FNTA (0.33) CYP19A1FNTAFNTBPGGT1BCNR2
SCHEMBL22293240 0.80 FNTA (0.37) CYP19A1OPRM1OPRD1OPRK1FNTA
SCHEMBL22292933 0.80 PPARD (0.39) TAS2R14PPARG
SCHEMBL22293080 0.79 BCHE (0.35) CYP19A1FNTAFNTBPGGT1BCNR2
SCHEMBL22293292 0.79 POLB (0.38) CYP19A1FNTAFNTBHRH3
SCHEMBL18974569 0.78 CMKLR1 (0.38) FNTAFNTBPGGT1BCTSLCTSS
SCHEMBL18974583 0.78 CMKLR1 (0.38) FNTAFNTBPGGT1BCTSLCTSS
SCHEMBL18974560 0.77 CMKLR1 (0.39) FNTAFNTBPGGT1BCTSLCTSS
SCHEMBL22293062 0.77 BCHE (0.33) CNR2
SCHEMBL22293291 0.76 KDM4E (0.37) OPRM1OPRD1OPRK1CNR2

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