SCHEMBL4752797

SCHEMBL4752797

NCCC[C@@](O)(c1cccc(Cl)c1)C1CCCNC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.46
REN P00797 9/20 0.38
CHEK1 O14757 4/20 0.37
CDK2AP1 O14519 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DRD2 P14416 1/20 0.36

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
SCHEMBL1866030 0.89 REN (0.46) RENMEN1KMT2ADRD2
SCHEMBL1866028 0.89 REN (0.46) RENMEN1KMT2ADRD2
SCHEMBL1861229 0.88 SCN5A (0.43) RENMEN1KMT2A
SCHEMBL3597925 0.88 REN (0.40) RENMEN1KMT2ADRD2
SCHEMBL3600940 0.88 SCN5A (0.43) RENMEN1KMT2A
SCHEMBL1861227 0.88 SCN5A (0.43) RENMEN1KMT2A
SCHEMBL1867384 0.88 REN (0.40) RENMEN1KMT2ADRD2
SCHEMBL1867383 0.88 REN (0.40) RENMEN1KMT2ADRD2
SCHEMBL3597921 0.88 REN (0.40) RENMEN1KMT2ADRD2
SCHEMBL3616993 0.88 REN (0.42) RENCHEK1CDK2AP1

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-2008156832-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed