SCHEMBL9800527

SCHEMBL9800527

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

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.41
REN P00797 18/20 0.39

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
SCHEMBL7282189 0.88 REN (0.39) REN
SCHEMBL7331331 0.86 REN (0.39) REN
SCHEMBL7290984 0.85 REN (0.37) REN
SCHEMBL8584327 0.85 REN (0.41) REN
SCHEMBL7283325 0.84 REN (0.41) REN
SCHEMBL7290665 0.83 P2RX1 (0.46) P2RX1REN
SCHEMBL7277076 0.83 P2RX1 (0.46) P2RX1REN
SCHEMBL7433840 0.83 P2RX1 (0.46) P2RX1REN
SCHEMBL7282458 0.81 P2RX1 (0.44) P2RX1REN
SCHEMBL7281025 0.81 P2RX1 (0.44) 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