SCHEMBL7425944

SCHEMBL7425944

CC(C)CC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@@H](Cc1ccccc1)C(=O)N(C)CCN(C)C(=O)N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.51

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
SCHEMBL7393624 0.91 REN (0.59) REN
Hydrochloric Acid SCHEMBL9288472 0.91 REN (0.59) REN
SCHEMBL9354463 0.89 REN (0.57) REN
SCHEMBL9354954 0.89 REN (0.57) REN
SCHEMBL9354410 0.89 REN (0.56) REN
SCHEMBL9844529 0.88 REN (0.58) REN
SCHEMBL7273734 0.87 REN (0.54) REN
SCHEMBL9355197 0.87 REN (0.57) REN
SCHEMBL7277958 0.87 REN (0.51) REN
SCHEMBL7273807 0.87 REN (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0634175-B1 Pharmaceutical combination, containing a renin-angiotensin-system inhibitor and an endothelin antagonist HOFFMANN LA ROCHE (CH) 2001-01-10 EP disclosed
EP-0634175-A1 Pharmaceutical combination, containing a renin-angiotensin-system inhibitor and an endothelin antagonist F. HOFFMANN-LA ROCHE AG (CH) 1995-01-18 EP disclosed