SCHEMBL8911077

SCHEMBL8911077

NC(=O)c1cccc2[nH]c(C(=O)N[C@@H](CC3CCCCC3)[C@@H](O)[C@@H](O)C3CC3)c(CCc3c[nH]cn3)c12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.42
REN P00797 10/20 0.34
PYGL P06737 1/20 0.32
F2RL1 P55085 1/20 0.32
PARP1 P09874 2/20 0.32
JAK2 O60674 2/20 0.32
RPS6KB1 P23443 1/20 0.31
HPGDS O60760 1/20 0.31
CCR1 P32246 1/20 0.31

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
SCHEMBL8909162 0.88 P2RX1 (0.38) P2RX1RENPYGL
SCHEMBL8909460 0.87 P2RX1 (0.38) P2RX1RENPYGLCCR1
SCHEMBL8910568 0.87 P2RX1 (0.38) P2RX1RENPYGL
SCHEMBL8910260 0.85 REN (0.40) P2RX1RENPYGL
SCHEMBL8910213 0.80 P2RX1 (0.46) P2RX1RENPYGLCCR1
SCHEMBL8910668 0.77 P2RX1 (0.44) P2RX1RENCCR1
SCHEMBL9800527 0.74 P2RX1 (0.41) P2RX1REN
SCHEMBL7290665 0.71 P2RX1 (0.46) P2RX1REN
SCHEMBL7277076 0.71 P2RX1 (0.46) P2RX1REN
SCHEMBL7433840 0.71 P2RX1 (0.46) P2RX1REN

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 claimed