SCHEMBL8909424

SCHEMBL8909424

Cc1ccc2[nH]c(C(=O)N(C(Cc3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)C(N)=O)[C@@H](CC3CCCCC3)[C@@H](O)[C@@H](O)C3CC3)cc2c1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 11/20 0.34
AKR1C3 P42330 4/20 0.33
P2RX1 P51575 1/20 0.33
REN P00797 1/20 0.32
PYGL P06737 1/20 0.32

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
SCHEMBL8910552 0.93 REN (0.36) SIRT2P2RX1REN
SCHEMBL8908848 0.93 F2R (0.37) SIRT2AKR1C3P2RX1REN
SCHEMBL8910197 0.92 REN (0.36) SIRT2P2RX1RENPYGL
SCHEMBL8910523 0.92 KDM4E (0.38) SIRT2AKR1C3PYGL
SCHEMBL8909458 0.82 PYGL (0.36) AKR1C3P2RX1RENPYGL
SCHEMBL9800634 0.82 P2RX1 (0.49) P2RX1RENPYGL
SCHEMBL8910700 0.76 REN (0.40) AKR1C3P2RX1RENPYGL
SCHEMBL8909363 0.76 P2RX1 (0.52) AKR1C3P2RX1REN
SCHEMBL9800700 0.75 REN (0.51) SIRT2P2RX1RENPYGL
SCHEMBL8909618 0.75 SIRT2 (0.37) 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