SCHEMBL9800690

SCHEMBL9800690

O=C(N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1)c1cc2cc(O)ccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.59
P2RX1 P51575 1/20 0.52
PYGL P06737 1/20 0.44
F2R P25116 1/20 0.38

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
SCHEMBL9800603 0.92 REN (0.59) RENP2RX1PYGL
SCHEMBL9800552 0.91 P2RX1 (0.59) RENP2RX1F2R
SCHEMBL8909814 0.83 REN (0.55) RENP2RX1F2R
SCHEMBL9800700 0.82 REN (0.51) RENP2RX1PYGLF2R
SCHEMBL9800652 0.81 P2RX1 (0.77) RENP2RX1
SCHEMBL7437602 0.79 REN (0.75) RENP2RX1F2R
SCHEMBL8909154 0.79 REN (0.41) RENP2RX1PYGLF2R
SCHEMBL8909404 0.78 REN (0.62) RENP2RX1
SCHEMBL7290665 0.78 P2RX1 (0.46) RENP2RX1
SCHEMBL7433840 0.78 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
EP-0416373-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-03-13 EP disclosed