SCHEMBL4971018

SCHEMBL4971018

CC(C)(C)N1CCCC([C@@H](OCCO)c2cccc(Cl)c2F)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.46
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
CFD P00746 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 1/20 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
SCHEMBL4969812 0.90 REN (0.45) RENKDM4EALDH1A1TSHRTDP1
SCHEMBL4973950 0.90 REN (0.45) RENKDM4EALDH1A1TSHRTDP1
SCHEMBL4973514 0.90 REN (0.44) RENKDM4E
SCHEMBL4971183 0.85 REN (0.45) RENKDM4EALDH1A1TSHRTDP1
SCHEMBL4972473 0.83 REN (0.43) RENKDM4EALDH1A1TSHRTDP1
SCHEMBL1863705 0.83 REN (0.54) RENALDH1A1TSHR
SCHEMBL1863699 0.83 REN (0.54) RENALDH1A1TSHR
SCHEMBL1863701 0.83 REN (0.54) RENALDH1A1TSHR
SCHEMBL4969868 0.83 REN (0.43) RENKDM4EALDH1A1TSHRTDP1
SCHEMBL5515790 0.82 REN (0.54) RENKDM4ENPC1RAB9AGAA

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