SCHEMBL7269757

SCHEMBL7269757

COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CC(=O)C(C)(C)C)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 2/20 0.49
ALDH1A1 P00352 2/20 0.46
THRB P10828 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KLK5 Q9Y337 1/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
MMP1 P03956 1/20 0.41
FCER2 P06734 1/20 0.41

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
SCHEMBL9727512 0.91 MME (0.47)
SCHEMBL9875926 0.90 ALDH1A1 (0.53) BIRC2ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL9875934 0.90 ALDH1A1 (0.53) BIRC2ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL9551315 0.85 ALDH1A1 (0.49) BIRC2ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL7332377 0.85 REN (0.46) BIRC2ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL9800625 0.85 REN (0.46) BIRC2ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL7321074 0.84 BIRC2 (0.47) BIRC2ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL9665739 0.83 ALDH1A1 (0.45) BIRC2ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL9551271 0.83 ALDH1A1 (0.53) BIRC2ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL10436047 0.83 OPRK1 (0.55) BIRC2ALDH1A1THRBCYP2C9CYP2C19

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5389616-A Renin inhibitor, hypotensive agent HOFFMAN-LAROCHE INC. (US) 1995-02-14 US disclosed
US-5278148-A Hypotensive agents HOFFMANN-LA ROCHE INC. (US) 1994-01-11 US disclosed
US-5256645-A Renin inhibitors; hypotensive agents HOFFMANN-LA ROCHE INC. (US) 1993-10-26 US disclosed
US-5140011-A Hypotensive agents HOFFMANN-LA ROCHE, INC. (US) 1992-08-18 US disclosed
US-5134123-A Renin enzyme inhibitors for cardiovascular disorders and high blood pressure HOFFMAN-LA ROCHE INC. (US) 1992-07-28 US disclosed
EP-0391180-A2 Peptide derivatives of amino acids having a renin-inhibiting effect F. HOFFMANN-LA ROCHE AG (CH) 1990-10-10 EP disclosed