SCHEMBL9123015

SCHEMBL9123015

CC(C)C[C@H](O)[C@H](O)[C@H](CC1CC=CCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 18/20 0.45
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CTSD P07339 1/20 0.36
▸ CTSE P14091 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
SCHEMBL5709645 0.83 REN (0.58) REN
SCHEMBL7272241 0.83 REN (0.58) REN
SCHEMBL7266599 0.83 REN (0.58) REN
SCHEMBL6696371 0.83 REN (0.58) REN
SCHEMBL7395966 0.77 REN (0.53) RENCTSDCTSE
SCHEMBL7281729 0.76 REN (0.56) RENCA1CA2CA7CTSD
SCHEMBL7350020 0.74 REN (0.61) REN
SCHEMBL7271038 0.73 REN (0.51) RENCTSDCTSE
SCHEMBL7355086 0.72 REN (0.54) RENCTSDCTSE
SCHEMBL9435421 0.72 REN (0.54) 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
US-5442044-A Hypotensive agents PFIZER INC. (US) 1995-08-15 — — US disclosed
EP-0661292-A1 Orally active renin inhibitors PFIZER INC. (US) 1995-07-05 — — EP disclosed
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