SCHEMBL21101487

SCHEMBL21101487

O=C(NCC(=O)N1CCCC1)c1ccnc2cnccc12

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PREP P48147 8/20 0.65
FAP Q12884 4/20 0.56
DPP7 Q9UHL4 2/20 0.48
PRMT3 O60678 4/20 0.47
RAB9A P51151 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
SCHEMBL24928106 0.85 FAP (0.73) PREPFAPDPP7
SCHEMBL21101632 0.81 PREP (0.66) PREPFAPDPP7PRMT3
SCHEMBL21101556 0.81 PREP (0.66) PREPFAP
SCHEMBL21101629 0.80 PREP (0.64) PREPFAPDPP7
SCHEMBL15129792 0.79 PREP (1.00) PREPFAPDPP7
SCHEMBL15129791 0.79 PREP (1.00) PREPFAPDPP7
SCHEMBL21101486 0.79 PREP (0.67) PREPFAPDPP7
SCHEMBL8288849 0.78 PRMT3 (0.56) PRMT3RAB9A
SCHEMBL21101295 0.77 PREP (0.68) PREPFAPRAB9A
SCHEMBL21101294 0.74 PREP (0.69) PREPFAP

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