SCHEMBL7444035

SCHEMBL7444035

CC(=O)O[C@@H](CCc1ccccn1)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(CC(=O)N1CCC(N)CC1)Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.73

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
Acetic Acid SCHEMBL9325931 0.93 REN (0.82) REN
Acetic Acid SCHEMBL9326366 0.89 REN (0.71) REN
Acetic Acid SCHEMBL9326712 0.88 REN (0.73) REN
Acetic Acid SCHEMBL9325957 0.84 REN (0.97) REN
Acetic Acid SCHEMBL9326323 0.84 REN (0.80) REN
Acetic Acid SCHEMBL9325901 0.84 REN (0.67) REN
SCHEMBL9327709 0.83 REN (0.83) REN
Acetic Acid SCHEMBL9326611 0.83 REN (0.80) REN
Acetic Acid SCHEMBL9326716 0.81 REN (0.71) REN
SCHEMBL7267778 0.81 REN (0.66) 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
US-5696116-A TREATING DISORDERS ASSOCIATED WITH VASOCONSTRICTION HOFFMANN-LA ROCHE INC. (US) 1997-12-09 US disclosed