SCHEMBL4970274

SCHEMBL4970274

Cc1ccc(F)cc1[C@H](OCC#N)C1CCCN(C(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.40
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 1/20 0.36
PGR P06401 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GFER P55789 1/20 0.34
USP30 Q70CQ3 1/20 0.34
CTSL P07711 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
SCHEMBL3609953 0.88 MEN1 (0.44) RENKMT2APGRCYP2D6CYP2C9
SCHEMBL3609955 0.88 MEN1 (0.44) RENKMT2APGRCYP2D6CYP2C9
SCHEMBL3609954 0.88 MEN1 (0.44) RENKMT2APGRCYP2D6CYP2C9
SCHEMBL4970765 0.82 USP30 (0.35) RENUSP30
SCHEMBL4972459 0.81 REN (0.59) REN
SCHEMBL4972466 0.81 REN (0.59) REN
SCHEMBL4973229 0.80 REN (0.39) RENALDH1A1
SCHEMBL2329294 0.78 REN (0.47) REN
SCHEMBL2329296 0.78 REN (0.47) REN
SCHEMBL2328270 0.78 REN (0.47) REN

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