SCHEMBL4970765

SCHEMBL4970765

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

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.35
REN P00797 1/20 0.32
MC4R P32245 2/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL4971676 0.85 REN (0.37) RENMC4RSLC6A4
SCHEMBL3609954 0.82 MEN1 (0.44) USP30REN
SCHEMBL3609953 0.82 MEN1 (0.44) USP30REN
SCHEMBL3609955 0.82 MEN1 (0.44) USP30REN
SCHEMBL4970274 0.82 REN (0.40) USP30REN
SCHEMBL4971174 0.77 SLC6A3 (0.36) USP30RENSLC6A4
SCHEMBL3965737 0.73 REN (0.36) RENMC4R
SCHEMBL4970054 0.73 REN (0.36) REN
SCHEMBL3615228 0.68 REN (0.45) USP30REN
SCHEMBL3615232 0.68 REN (0.45) USP30REN

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