SCHEMBL8910260

SCHEMBL8910260

COc1ccc2[nH]c(C(=O)N[C@@H](CC3CCCCC3)[C@@H](O)[C@@H](O)C3CC3)c(CCc3c[nH]cn3)c2c1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.40
P2RX1 P51575 1/20 0.38
PYGL P06737 1/20 0.33

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
SCHEMBL8909460 0.91 P2RX1 (0.38) RENP2RX1PYGL
SCHEMBL8909162 0.90 P2RX1 (0.38) RENP2RX1PYGL
SCHEMBL8910568 0.90 P2RX1 (0.38) RENP2RX1PYGL
SCHEMBL8911077 0.85 P2RX1 (0.42) RENP2RX1PYGL
SCHEMBL8910668 0.76 P2RX1 (0.44) RENP2RX1
SCHEMBL8910213 0.74 P2RX1 (0.46) RENP2RX1PYGL
SCHEMBL9800527 0.71 P2RX1 (0.41) RENP2RX1
SCHEMBL7290665 0.69 P2RX1 (0.46) RENP2RX1
SCHEMBL7433840 0.69 P2RX1 (0.46) RENP2RX1
SCHEMBL7277076 0.69 P2RX1 (0.46) 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