SCHEMBL8910517

SCHEMBL8910517

O=C(NC(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1)C(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.55
P2RX1 P51575 1/20 0.46

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
SCHEMBL9800627 1.00 REN (0.55) RENP2RX1
SCHEMBL8909417 0.89 P2RX1 (0.47) RENP2RX1
SCHEMBL8909044 0.89 P2RX1 (0.47) RENP2RX1
SCHEMBL8909763 0.87 P2RX1 (0.44) RENP2RX1
SCHEMBL9800494 0.87 P2RX1 (0.44) RENP2RX1
SCHEMBL9800675 0.87 P2RX1 (0.50) RENP2RX1
SCHEMBL8909778 0.87 P2RX1 (0.50) RENP2RX1
SCHEMBL9800541 0.84 P2RX1 (0.51) RENP2RX1
SCHEMBL8909310 0.83 P2RX1 (0.70) RENP2RX1
SCHEMBL8909926 0.83 P2RX1 (0.42) RENP2RX1

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