SCHEMBL9800552

SCHEMBL9800552

O=C(N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1)c1cc2ccccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.59
REN P00797 12/20 0.58
F2R P25116 1/20 0.47
CCKBR P32239 1/20 0.43

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
SCHEMBL9800690 0.91 REN (0.59) P2RX1RENF2R
SCHEMBL9800603 0.90 REN (0.59) P2RX1REN
SCHEMBL7437602 0.88 REN (0.75) P2RX1RENF2R
SCHEMBL9800652 0.87 P2RX1 (0.77) P2RX1REN
SCHEMBL8909814 0.86 REN (0.55) P2RX1RENF2R
SCHEMBL9225836 0.83 REN (0.55) P2RX1RENF2R
SCHEMBL8909404 0.82 REN (0.62) P2RX1REN
SCHEMBL9800633 0.82 P2RX1 (0.58) P2RX1REN
SCHEMBL9800511 0.81 REN (0.55) P2RX1REN
SCHEMBL8909157 0.81 REN (0.55) 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