SCHEMBL7365902

SCHEMBL7365902

CC(C)CC(CC(OC1CCCCO1)C(CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)NCCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.49
HTRA1 Q92743 1/20 0.46
MAPT P10636 1/20 0.45
KLK7 P49862 2/20 0.45
KLK5 Q9Y337 2/20 0.45
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43

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
SCHEMBL9876274 1.00 REN (0.49) RENHTRA1MAPTKLK7KLK5
SCHEMBL9876624 0.93 REN (0.49) REN
SCHEMBL9879690 0.92 REN (0.48) RENHTRA1MAPTKLK7KLK5
SCHEMBL10458260 0.91 REN (0.50) REN
SCHEMBL7357503 0.89 REN (0.52) REN
SCHEMBL9876300 0.86 REN (0.50) REN
SCHEMBL9876626 0.81 REN (0.56) REN
SCHEMBL10625927 0.80 REN (0.46) REN
SCHEMBL10673839 0.80 REN (0.46) REN
SCHEMBL10675537 0.80 REN (0.46) 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-0270234-A2 Renin inhibitors PFIZER INC. (US) 1988-06-08 EP disclosed
WO-1988003022-A1 RELATIVELY LOW MOLECULAR WEIGHT POLYPEPTIDES AS RENIN INHIBITORS PFIZER INC. (US) 1988-05-05 WO disclosed