SCHEMBL9800652

SCHEMBL9800652

O=C(N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1)c1nc2ccccc2[nH]1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.77
REN P00797 18/20 0.58

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
SCHEMBL16507547 0.87 P2RX1 (1.00) P2RX1REN
SCHEMBL9800552 0.87 P2RX1 (0.59) P2RX1REN
SCHEMBL9800633 0.84 P2RX1 (0.58) P2RX1REN
SCHEMBL9554711 0.84 REN (0.64) P2RX1REN
SCHEMBL9554717 0.84 REN (0.64) P2RX1REN
SCHEMBL8909814 0.83 REN (0.55) P2RX1REN
SCHEMBL8909310 0.83 P2RX1 (0.70) P2RX1REN
SCHEMBL9800549 0.83 P2RX1 (0.70) P2RX1REN
SCHEMBL8909404 0.82 REN (0.62) P2RX1REN
SCHEMBL9800690 0.81 REN (0.59) 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
EP-0416373-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-03-13 EP disclosed