SCHEMBL8236287

SCHEMBL8236287

CCC[C@](OCCO)(c1cccc(Cl)c1)[C@@H]1CCCN(BOC)C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.35
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL4970829 0.84 REN (0.36) RENKDM4EMEN1KMT2AKDM2B
SCHEMBL8242614 0.83 REN (0.45) RENKDM4EKDM2BMAPK1NPSR1
SCHEMBL3613909 0.80 REN (0.42) RENMAPT
SCHEMBL3613911 0.80 REN (0.42) RENMAPT
SCHEMBL4971651 0.78 MEN1 (0.35) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL4971952 0.74 REN (0.42) REN
SCHEMBL27737826 0.74 REN (0.42) REN
SCHEMBL4975417 0.73 REN (0.49) REN
SCHEMBL4970049 0.73 REN (0.42) REN
SCHEMBL3613379 0.72 REN (0.41) RENMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007070201-A1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-06-21 WO disclosed