SCHEMBL21101294

SCHEMBL21101294

O=C(NCC(=O)N1CCCC1)c1ccnc2ccc(OC(F)(F)F)cc12

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PREP P48147 7/20 0.69
FAP Q12884 6/20 0.50
DPP4 P27487 2/20 0.49
DPP9 Q86TI2 1/20 0.49
SCN9A Q15858 5/20 0.47
SCN10A Q9Y5Y9 1/20 0.46
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL21101295 0.87 PREP (0.68) PREPFAPDPP4DPP9
SCHEMBL21101486 0.83 PREP (0.67) PREPFAP
SCHEMBL21101477 0.83 PREP (0.61) PREPFAPDPP4DPP9TRPV1
SCHEMBL16267531 0.82 PREP (1.00) PREPFAPDPP4DPP9
SCHEMBL15138749 0.82 PREP (1.00) PREPFAPDPP4DPP9
SCHEMBL26225738 0.79 FAP (0.58) PREPFAPDPP4DPP9
SCHEMBL24928106 0.78 FAP (0.73) PREPFAP
SCHEMBL21257036 0.76 FAP (0.76) PREPFAPDPP4DPP9
SCHEMBL21263980 0.75 FAP (0.58) PREPFAPDPP4DPP9
SCHEMBL21101632 0.75 PREP (0.66) PREPFAPDPP9

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-2804859-B1 NOVEL FAP INHIBITORS UNIV ANTWERPEN (BE) 2019-06-12 EP disclosed