SCHEMBL7274989

SCHEMBL7274989

NN(C(=O)CCc1c[nH]cn1)[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 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
SCHEMBL9739937 0.97
SCHEMBL7292038 0.88
SCHEMBL9800480 0.82 P2RX1 (0.42) P2RX1
SCHEMBL10510142 0.78
SCHEMBL7279661 0.78
SCHEMBL9800527 0.78 P2RX1 (0.41) P2RX1
SCHEMBL7290665 0.71 P2RX1 (0.46) P2RX1
SCHEMBL7433840 0.71 P2RX1 (0.46) P2RX1
SCHEMBL7277076 0.71 P2RX1 (0.46) P2RX1
SCHEMBL8910700 0.71 REN (0.40) P2RX1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0509354-B1 Amino acid derivatives HOFFMANN LA ROCHE (CH) 2000-08-23 EP disclosed
US-5393875-A Hypotensive, cardiotonic and antiischemic agents HOFFMANN-LA ROCHE INC. (US) 1995-02-28 US disclosed
EP-0509354-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-10-21 EP disclosed