SCHEMBL21101629

SCHEMBL21101629

O=C(NCC(=O)N1CCCC1)c1cccc2ncccc12

nearest known ligand 0.84

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.64
FAP Q12884 11/20 0.63
NSD2 O96028 1/20 0.58
DPP7 Q9UHL4 2/20 0.54
NR4A1 P22736 1/20 0.48
ESR2 Q92731 1/20 0.48

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 0.91 FAP (0.73) PREPFAPDPP7
SCHEMBL16281637 0.81 P2RX7 (0.55) PREPFAP
SCHEMBL21101487 0.80 PREP (0.65) PREPFAPDPP7
SCHEMBL12396143 0.79 NSD2 (0.67) PREPFAPNSD2DPP7NR4A1
SCHEMBL15129565 0.79 PREP (1.00) PREPFAPDPP7
SCHEMBL15129564 0.79 PREP (1.00) PREPFAPDPP7
SCHEMBL25752742 0.78 FAP (1.00) FAP
SCHEMBL21101486 0.78 PREP (0.67) PREPFAPDPP7
SCHEMBL21101632 0.78 PREP (0.66) PREPFAPDPP7
SCHEMBL21101556 0.78 PREP (0.66) 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