SCHEMBL7278739

SCHEMBL7278739

CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)N(C(=O)[C@@H](CC(N)=O)CC1CC1)[C@@H](CO)[C@@H](O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 2/20 0.37
▸ PSEN2 P49810 2/20 0.37
▸ APH1B Q8WW43 2/20 0.37
▸ NCSTN Q92542 2/20 0.37
▸ APH1A Q96BI3 2/20 0.37
▸ PSENEN Q9NZ42 2/20 0.37
▸ REN P00797 16/20 0.37
▸ CCR1 P32246 1/20 0.36
▸ ATM Q13315 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
SCHEMBL7288722 0.85 REN (0.43) REN
SCHEMBL7281076 0.85 REN (0.43) REN
SCHEMBL7280239 0.83 REN (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7288831 0.83 REN (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9388320 0.76 REN (0.48) REN
SCHEMBL7279096 0.75 CCR1 (0.38) RENCCR1
SCHEMBL7278947 0.73 REN (0.37) RENCCR1
SCHEMBL7287034 0.73 REN (0.37) RENCCR1
SCHEMBL7288374 0.72 REN (0.48) REN
SCHEMBL7389599 0.71 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A

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-0589446-B1 N-(Hydroxyethyl)butanediamide derivatives as renin inhibitors BOEHRINGER INGELHEIM CA LTD (CA) 1997-09-03 — — EP claimed
WO-1994007845-A1 N-(HYDROXYETHYL)BUTANEDIAMIDE DERIVATIVES AS RENIN INHIBITORS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-04-14 — — WO claimed
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