SCHEMBL9740996

SCHEMBL9740996

CCOC(=O)c1ccc([C@@H](O)[C@@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CC(=O)NCCCN2CCCC2=O)Cc2cccc3ccccc23)o1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.43
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL9740998 1.00 REN (0.43) RENMMP2MMP9MMP8TSHR
SCHEMBL9740310 0.79 REN (0.41) RENMMP2MMP9MMP8
SCHEMBL9740313 0.79 REN (0.41) RENMMP2MMP9MMP8
SCHEMBL9742942 0.78 REN (0.54) REN
SCHEMBL9742947 0.78 REN (0.54) REN
SCHEMBL9740882 0.74 MMP2 (0.54) RENMMP2MMP9MMP8
SCHEMBL9740887 0.74 MMP2 (0.54) RENMMP2MMP9MMP8
SCHEMBL9740075 0.74 REN (0.48) REN
SCHEMBL9740080 0.74 REN (0.48) REN
SCHEMBL10421591 0.72 REN (0.56) 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
US-5104869-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1992-04-14 US claimed