SCHEMBL4756926

SCHEMBL4756926

CN[C@H](C1CCCCC1)C(C)NC(=O)N(C)CC[C@@]1(CCCCOC)NC(=O)c2ccc(F)cc21

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.35
ACKR3 P25106 1/20 0.32
CHRNA7 P36544 1/20 0.30
REN P00797 1/20 0.30
MAPK14 Q16539 2/20 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
SCHEMBL4811775 1.00 CTSS (0.35) CTSSACKR3CHRNA7RENMAPK14
SCHEMBL4788989 0.94 CTSS (0.34) CTSSACKR3REN
SCHEMBL4754331 0.91 PYGL (0.32)
SCHEMBL4755359 0.87 PYGL (0.32)
SCHEMBL499019 0.84 REN (0.43) CTSSREN
SCHEMBL499018 0.84 REN (0.43) CTSSREN
SCHEMBL499809 0.84 REN (0.43) CTSSREN
SCHEMBL499789 0.75 REN (0.43) REN
SCHEMBL499788 0.75 REN (0.43) REN
SCHEMBL498972 0.75 REN (0.43) REN

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-2008156816-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO claimed