SCHEMBL13570514

SCHEMBL13570514

NC(=O)C1CCCN1C(=O)[C@H](O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.53
DPP4 P27487 3/20 0.48
RAB9A P51151 1/20 0.46
ERAP2 Q6P179 1/20 0.45
ERAP1 Q9NZ08 1/20 0.45
LNPEP Q9UIQ6 1/20 0.45
ACE P12821 2/20 0.44
SPHK2 Q9NRA0 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6437305 0.88 ALDH1A1 (0.55) F2ACEALDH1A1SMN1; SMN2
SCHEMBL6437308 0.88 ALDH1A1 (0.55) F2ACEALDH1A1SMN1; SMN2
SCHEMBL6980126 0.87 AGTR2 (0.52) DPP4
SCHEMBL8536863 0.86 DPP4 (0.49) F2DPP4RAB9AERAP2ERAP1
SCHEMBL15743824 0.86 F2 (0.51) F2DPP4ACEALDH1A1SMN1; SMN2
SCHEMBL15743844 0.86 F2 (0.51) F2DPP4ACEALDH1A1SMN1; SMN2
SCHEMBL31376320 0.86 DPP4 (0.65) F2DPP4RAB9AERAP2ERAP1
SCHEMBL13570424 0.84 VNN1 (0.50) F2
SCHEMBL14828684 0.83 F2 (0.52) F2DPP4ACE
SCHEMBL14828681 0.83 F2 (0.52) F2DPP4ACE

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-2519506-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-11-07 EP disclosed