SCHEMBL21101376

SCHEMBL21101376

C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.74
FAP Q12884 17/20 0.73
DPP7 Q9UHL4 2/20 0.73

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
SCHEMBL26223829 1.00 PREP (0.74) PREPFAPDPP7
SCHEMBL21101555 0.86 PREP (0.75) PREPFAPDPP7
SCHEMBL22811116 0.86 FAP (0.77) PREPFAP
SCHEMBL15129801 0.85 PREP (1.00) PREPFAPDPP7
SCHEMBL15129800 0.85 PREP (1.00) PREPFAPDPP7
SCHEMBL26763770 0.85 PREP (0.61) PREPFAPDPP7
SCHEMBL24927935 0.85 FAP (0.73) PREPFAPDPP7
SCHEMBL16267187 0.85 PREP (1.00) PREPFAPDPP7
SCHEMBL15138980 0.85 PREP (1.00) PREPFAPDPP7
SCHEMBL29181978 0.85 FAP (0.73) 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