SCHEMBL21101632

SCHEMBL21101632

O=C(NCC(=O)N1CCCC1)c1ccnc2cc(Br)ccc12

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PREP P48147 12/20 0.66
FAP Q12884 4/20 0.55
DPP9 Q86TI2 1/20 0.47
DPP7 Q9UHL4 2/20 0.47
PRMT3 O60678 1/20 0.45

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
SCHEMBL21101556 0.86 PREP (0.66) PREPFAPDPP9
SCHEMBL24928106 0.83 FAP (0.73) PREPFAPDPP7
SCHEMBL26965980 0.82 PREP (0.57) PREPDPP9
SCHEMBL21101487 0.81 PREP (0.65) PREPFAPDPP7PRMT3
SCHEMBL15129949 0.80 PREP (1.00) PREPFAPDPP9DPP7
SCHEMBL15129950 0.80 PREP (1.00) PREPFAPDPP9DPP7
SCHEMBL31243024 0.80 PREP (1.00) PREPFAPDPP9DPP7
SCHEMBL21101486 0.80 PREP (0.67) PREPFAPDPP7
SCHEMBL21101628 0.79 PREP (0.69) PREPFAPDPP9DPP7
SCHEMBL21101629 0.78 PREP (0.64) PREPFAPDPP7

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