SCHEMBL8909814

SCHEMBL8909814

O=C(NC(Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1)c1ccc[nH]1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.55
P2RX1 P51575 1/20 0.54
F2R P25116 1/20 0.43

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
SCHEMBL9800552 0.86 P2RX1 (0.59) RENP2RX1F2R
SCHEMBL8909404 0.85 REN (0.62) RENP2RX1
SCHEMBL9800511 0.83 REN (0.55) RENP2RX1
SCHEMBL8909157 0.83 REN (0.55) RENP2RX1
SCHEMBL9800652 0.83 P2RX1 (0.77) RENP2RX1
SCHEMBL7433840 0.83 P2RX1 (0.46) RENP2RX1
SCHEMBL7277076 0.83 P2RX1 (0.46) RENP2RX1
SCHEMBL7290665 0.83 P2RX1 (0.46) RENP2RX1
SCHEMBL9800690 0.83 REN (0.59) RENP2RX1F2R
SCHEMBL9800633 0.83 P2RX1 (0.58) 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