SCHEMBL9740611

SCHEMBL9740611

CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CC(=O)NC(C)(C)C)Cc1ccccc1)[C@H](O)c1nccs1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41
BIRC2 Q13490 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
SCHEMBL9740612 1.00 REN (0.41) RENMMP2MMP9MMP8BIRC2
SCHEMBL9741072 0.90 BIRC2 (0.47) RENMMP2MMP9MMP8BIRC2
SCHEMBL9741066 0.90 BIRC2 (0.47) RENMMP2MMP9MMP8BIRC2
SCHEMBL7314705 0.86 REN (0.52) REN
SCHEMBL9740207 0.80 REN (0.41) REN
SCHEMBL9740196 0.80 REN (0.41) REN
SCHEMBL9849618 0.79 REN (0.48) RENBIRC2
SCHEMBL9740006 0.79 REN (0.48) RENBIRC2
SCHEMBL9740000 0.79 REN (0.48) RENBIRC2
SCHEMBL9740255 0.79 REN (0.48) RENBIRC2

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