SCHEMBL4969812

SCHEMBL4969812

CC(C)(C)N1CCC[C@@H]([C@H](OCCN)c2cccc(Cl)c2F)C1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.45
CFD P00746 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4973950 1.00 REN (0.45) RENCFDKDM4EALDH1A1TSHR
SCHEMBL4973471 0.91 REN (0.43) RENKDM4E
SCHEMBL4971018 0.90 REN (0.46) RENCFDKDM4EALDH1A1TSHR
SCHEMBL4971183 0.85 REN (0.45) RENCFDKDM4EALDH1A1TSHR
SCHEMBL1862352 0.82 REN (0.53) RENTSHR
SCHEMBL1861478 0.82 REN (0.53) RENTSHR
SCHEMBL1862351 0.82 REN (0.53) RENTSHR
SCHEMBL1861480 0.82 REN (0.53) RENTSHR
SCHEMBL1861476 0.82 REN (0.53) RENTSHR
SCHEMBL1865929 0.82 REN (0.53) RENTSHR

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