SCHEMBL8909624

SCHEMBL8909624

NC(=O)C(COC(=O)N(CC(C(N)=O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1)c1cccnc1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
REN P00797 1/20 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
SCHEMBL8910208 0.83 ALDH1A1 (0.31)
SCHEMBL8909618 0.73 SIRT2 (0.37) C3AR1SIRT2REN
SCHEMBL8908848 0.65 F2R (0.37) SIRT2REN
SCHEMBL8910552 0.63 REN (0.36) SIRT2REN
SCHEMBL8910523 0.63 KDM4E (0.38) SIRT2
SCHEMBL8909763 0.63 P2RX1 (0.44) SIRT2REN
SCHEMBL9800494 0.63 P2RX1 (0.44) SIRT2REN
SCHEMBL8909424 0.63 SIRT2 (0.34) SIRT2REN
SCHEMBL8910197 0.63 REN (0.36) SIRT2REN
SCHEMBL9800575 0.62 REN (0.41) SIRT2REN

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
US-5688946-A DIPEPTIDES FOR HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS HOFFMANN LA ROCHE INC. (US) 1997-11-18 US disclosed