SCHEMBL9876630

SCHEMBL9876630

CC(C)C[C@H](C[C@H](OC1CCCCO1)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N1CCc2ccccc2C1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 14/20 0.44
TDP1 Q9NUW8 1/20 0.38
CTSK P43235 1/20 0.38
DRD2 P14416 3/20 0.38
DPP8 Q6V1X1 1/20 0.37

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
SCHEMBL7357503 0.81 REN (0.52) REN
SCHEMBL10673839 0.81 REN (0.46) RENCTSK
SCHEMBL7360605 0.81 REN (0.46) RENCTSK
SCHEMBL10675537 0.81 REN (0.46) RENCTSK
SCHEMBL9876267 0.80 KLK5 (0.41) RENCTSK
SCHEMBL10625927 0.79 REN (0.46) RENCTSK
SCHEMBL9876626 0.76 REN (0.56) REN
SCHEMBL10458260 0.76 REN (0.50) REN
SCHEMBL9876624 0.75 REN (0.49) REN
SCHEMBL9876274 0.75 REN (0.49) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992562-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1991-02-12 US disclosed
US-4948913-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1990-08-14 US disclosed
US-4729985-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1988-03-08 US disclosed
EP-0212903-A2 Polypeptide derivatives containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1987-03-04 EP disclosed