SCHEMBL4971676

SCHEMBL4971676

Cc1ccc(F)cc1[C@H](OCCN)[C@@H]1CCCN(C(C)(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.37
KDM4E B2RXH2 1/20 0.33
MC4R P32245 6/20 0.32
SLC6A2 P23975 9/20 0.32
SLC6A4 P31645 9/20 0.32
SLC6A3 Q01959 9/20 0.32
MC5R P33032 2/20 0.31
MC3R P41968 2/20 0.31
MC1R Q01726 2/20 0.31

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
SCHEMBL4970054 0.88 REN (0.36) RENKDM4E
SCHEMBL4970765 0.85 USP30 (0.35) RENMC4RSLC6A4
SCHEMBL3615232 0.82 REN (0.45) REN
SCHEMBL3615227 0.82 REN (0.45) REN
SCHEMBL3615228 0.82 REN (0.45) REN
SCHEMBL4973471 0.81 REN (0.43) RENKDM4E
SCHEMBL4973950 0.79 REN (0.45) RENKDM4E
SCHEMBL4969812 0.79 REN (0.45) RENKDM4E
SCHEMBL3881752 0.78 REN (0.52) RENKDM4E
SCHEMBL3965737 0.78 REN (0.36) RENKDM4EMC4R

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