SCHEMBL9740255

SCHEMBL9740255

CC(C)C[C@H](NC(=O)[C@@H](CC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@H](CC(C)C)[C@H](O)c1nccs1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.48
APP P05067 1/20 0.47
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
BIRC2 Q13490 1/20 0.44

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
SCHEMBL9740006 1.00 REN (0.48) RENAPPPSEN1PSEN2APH1B
SCHEMBL9740000 1.00 REN (0.48) RENAPPPSEN1PSEN2APH1B
SCHEMBL9849618 1.00 REN (0.48) RENAPPPSEN1PSEN2APH1B
SCHEMBL9740589 0.90 REN (0.54) REN
SCHEMBL9740591 0.90 REN (0.54) REN
SCHEMBL9741066 0.88 BIRC2 (0.47) RENBIRC2
SCHEMBL9741072 0.88 BIRC2 (0.47) RENBIRC2
SCHEMBL9740083 0.88 REN (0.44) REN
SCHEMBL9740085 0.88 REN (0.44) REN
SCHEMBL9849432 0.87 REN (0.36) RENAPPPSEN1PSEN2APH1B

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
US-5104869-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1992-04-14 US disclosed
EP-0427939-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1991-05-22 EP disclosed