SCHEMBL4973229

SCHEMBL4973229

Cc1ccc([C@H](OCC#N)C2CCCN(C(=O)O)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.39
POLB P06746 1/20 0.36
DPP4 P27487 1/20 0.35
FAP Q12884 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTR1E P28566 1/20 0.34
S1PR3 Q99500 1/20 0.34
EPHX2 P34913 1/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
RAB9A P51151 2/20 0.34
CTSB P07858 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL2329296 0.88 REN (0.47) RENPOLB
SCHEMBL2329294 0.88 REN (0.47) RENPOLB
SCHEMBL2328555 0.82 REN (0.39) RENDPP4DPP8DPP9DPP7
SCHEMBL2328561 0.82 REN (0.39) RENDPP4DPP8DPP9DPP7
SCHEMBL2325919 0.81 REN (0.49) RENALDH1A1
SCHEMBL2325916 0.81 REN (0.49) RENALDH1A1
SCHEMBL4970274 0.80 REN (0.40) RENALDH1A1
SCHEMBL2328270 0.79 REN (0.47) REN
SCHEMBL2328265 0.79 REN (0.47) REN
SCHEMBL28779403 0.76 DHODH (0.42) POLBHPGDSMN1; SMN2HTR1ES1PR3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966139-A1 ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2008-09-10 EP disclosed
WO-2007070201-A1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-06-21 WO disclosed