SCHEMBL9800778

SCHEMBL9800778

C[CH]C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.55
P2RX1 P51575 1/20 0.48

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
SCHEMBL8909404 0.90 REN (0.62) RENP2RX1
SCHEMBL9800781 0.90 REN (0.55) RENP2RX1
SCHEMBL9800511 0.89 REN (0.55) RENP2RX1
SCHEMBL8909157 0.89 REN (0.55) RENP2RX1
SCHEMBL8909040 0.89 REN (0.54) RENP2RX1
SCHEMBL9800551 0.87 REN (0.56) RENP2RX1
SCHEMBL7283229 0.86 REN (0.60) REN
SCHEMBL9227669 0.86 REN (0.60) REN
SCHEMBL9800473 0.85 REN (0.62) REN
Remikiren SCHEMBL22263508 0.84 REN (0.76) REN

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