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Sugi Predict / Compounds / SCHEMBL7312408

SCHEMBL7312408

SCHEMBL7312408

CC(C)CC(N)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@H]1CCCO1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 17/20 0.43
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL7321106 1.00 REN (0.43) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7298274 0.80 HPGD (0.37) REN
SCHEMBL7317655 0.80 HPGD (0.37) REN
SCHEMBL9555716 0.76 PSEN1 (0.49) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7297365 0.76 CTSC (0.37) REN
SCHEMBL7306392 0.76 PSEN1 (0.49) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7436333 0.75 REN (0.46) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7423570 0.74 REN (0.47) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7440606 0.74 REN (0.44) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7268380 0.73 PSEN1 (0.46) RENPSEN1PSEN2APH1BNCSTN

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-5459131-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1995-10-17 — — US disclosed
US-5189023-A Hypotensive agent AMERICAN CYANAMID COMPANY (US) 1993-02-23 — — US disclosed