SCHEMBL7277640

SCHEMBL7277640

C=C[C@H](CC)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](N)Cc1c[nH]cn1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.38
CTSD P07339 4/20 0.37
CTSE P14091 4/20 0.37
PGA5 P0DJD9 3/20 0.37

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
SCHEMBL9554322 0.88 REN (0.41) RENCTSDCTSEPGA5
SCHEMBL9555200 0.88 REN (0.41) RENCTSDCTSEPGA5
SCHEMBL9554457 0.88 REN (0.41) RENCTSDCTSEPGA5
SCHEMBL7276395 0.88 REN (0.43) RENCTSDCTSEPGA5
SCHEMBL10510052 0.86 REN (0.42) RENCTSDCTSE
SCHEMBL9554910 0.86 REN (0.42) RENCTSDCTSE
SCHEMBL7329529 0.86 REN (0.50) RENCTSDCTSEPGA5
SCHEMBL7279038 0.85 REN (0.35) RENCTSDCTSEPGA5
SCHEMBL9225629 0.82 REN (0.40) REN
SCHEMBL7266011 0.82 PSEN1 (0.49) 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-0391180-A2 Peptide derivatives of amino acids having a renin-inhibiting effect F. HOFFMANN-LA ROCHE AG (CH) 1990-10-10 EP disclosed