SCHEMBL21101628

SCHEMBL21101628

C=NC[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2cc(Br)ccc12

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PREP P48147 12/20 0.69
FAP Q12884 9/20 0.51
DPP7 Q9UHL4 2/20 0.51
DPP9 Q86TI2 1/20 0.51

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
SCHEMBL15129949 0.82 PREP (1.00) PREPFAPDPP7DPP9
SCHEMBL15129950 0.82 PREP (1.00) PREPFAPDPP7DPP9
SCHEMBL31243024 0.82 PREP (1.00) PREPFAPDPP7DPP9
SCHEMBL21101632 0.79 PREP (0.66) PREPFAPDPP7DPP9
SCHEMBL21101555 0.73 PREP (0.75) PREPFAPDPP7DPP9
SCHEMBL30641519 0.73 SLC22A12 (0.57) PREP
SCHEMBL26965980 0.72 PREP (0.57) PREPDPP9
SCHEMBL26763770 0.72 PREP (0.61) PREPFAPDPP7DPP9
SCHEMBL30783479 0.72 PREP (0.81) PREPFAPDPP7DPP9
SCHEMBL27258931 0.72 PREP (0.81) PREPFAPDPP7DPP9

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