SCHEMBL9800540

SCHEMBL9800540

COc1ccc(C[C@H](NC(=O)CCNC(=O)O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)C2CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.49
P2RX1 P51575 1/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40

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
SCHEMBL9800601 0.90 REN (0.48) RENP2RX1MMP1MMP2MMP3
SCHEMBL8910133 0.88 REN (0.51) RENP2RX1
Hydrochloric Acid SCHEMBL9800528 0.87 REN (0.52) RENP2RX1
SCHEMBL9800598 0.85 REN (0.48) RENP2RX1
SCHEMBL9800781 0.83 REN (0.55) RENP2RX1
SCHEMBL8909404 0.80 REN (0.62) RENP2RX1
SCHEMBL8909040 0.80 REN (0.54) RENP2RX1
SCHEMBL9800706 0.80 REN (0.46) REN
SCHEMBL9800778 0.79 REN (0.55) RENP2RX1
Enalkiren SCHEMBL123107 0.79 REN (0.62) 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