SCHEMBL9800633

SCHEMBL9800633

O=C(N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1)c1nc2ccccc2s1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.58
REN P00797 17/20 0.45
CNR1 P21554 1/20 0.45
MAOB P27338 1/20 0.41

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
SCHEMBL9800652 0.84 P2RX1 (0.77) P2RX1REN
SCHEMBL8909814 0.83 REN (0.55) P2RX1REN
SCHEMBL8910661 0.82 P2RX1 (0.52) P2RX1RENCNR1MAOB
SCHEMBL9800460 0.82 P2RX1 (0.52) P2RX1RENCNR1MAOB
SCHEMBL9800552 0.82 P2RX1 (0.59) P2RX1REN
SCHEMBL8909404 0.81 REN (0.62) P2RX1REN
SCHEMBL8909157 0.80 REN (0.55) P2RX1REN
SCHEMBL9800511 0.80 REN (0.55) P2RX1REN
SCHEMBL9800781 0.78 REN (0.55) P2RX1REN
SCHEMBL7290665 0.78 P2RX1 (0.46) 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