SCHEMBL8909417

SCHEMBL8909417

O=C(N[C@@H](CC1CCCCC1)[C@H](O)C(O)C1CC1)C(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.47
REN P00797 9/20 0.43
SIRT2 Q8IXJ6 10/20 0.41

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
SCHEMBL8909044 1.00 P2RX1 (0.47) P2RX1RENSIRT2
SCHEMBL8909763 0.90 P2RX1 (0.44) P2RX1RENSIRT2
SCHEMBL9800494 0.90 P2RX1 (0.44) P2RX1RENSIRT2
SCHEMBL8910517 0.89 REN (0.55) P2RX1REN
SCHEMBL9800627 0.89 REN (0.55) P2RX1REN
SCHEMBL9800675 0.88 P2RX1 (0.50) P2RX1RENSIRT2
SCHEMBL8909778 0.88 P2RX1 (0.50) P2RX1RENSIRT2
SCHEMBL9800541 0.85 P2RX1 (0.51) P2RX1RENSIRT2
SCHEMBL9800575 0.84 REN (0.41) P2RX1RENSIRT2
SCHEMBL9800460 0.84 P2RX1 (0.52) P2RX1RENSIRT2

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