SCHEMBL7294441

SCHEMBL7294441

CC(C)CNC(=O)C=C[C@H](O)[C@@H](N)CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.44
DNPEP Q9ULA0 1/20 0.44
CNR2 P34972 5/20 0.42
CNR1 P21554 3/20 0.42
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MMP1 P03956 1/20 0.37
MMP8 P22894 1/20 0.37
CETP P11597 1/20 0.37
GFPT1 Q06210 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
SCHEMBL7287058 1.00 ANPEP (0.44) ANPEPDNPEPCNR2CNR1PPARG
SCHEMBL9824000 0.78 GABRP (0.52) ANPEPDNPEP
SCHEMBL9823997 0.78 GABRP (0.52) ANPEPDNPEP
SCHEMBL7285511 0.78 GABRP (0.52) ANPEPDNPEP
SCHEMBL7161352 0.74 CNR2 (0.58) CNR2CNR1PPARGPPARDPPARA
SCHEMBL7278660 0.72 ANPEP (0.42) ANPEPDNPEPMAPTSMN1; SMN2CYP2D6
SCHEMBL7285895 0.72 ANPEP (0.42) ANPEPDNPEPMAPTSMN1; SMN2CYP2D6
SCHEMBL7288179 0.71 ANPEP (0.41) ANPEPDNPEPMAPTCYP2D6CYP2C19
SCHEMBL7279294 0.71 ANPEP (0.41) ANPEPDNPEPMAPTCYP2D6CYP2C19
SCHEMBL29795740 0.71 CNR2 (0.52) CNR2CNR1PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5164388-A Hypotensive agents, treatment of congestive heart failure ABBOTT LABORATORIES (US) 1992-11-17 US disclosed
EP-0439556-A4 HETEROCYCLIC PEPTIDE RENIN INHIBITORS 1991-10-30 EP disclosed
EP-0439556-A1 HETEROCYCLIC PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-08-07 EP disclosed
WO-1990004917-A1 HETEROCYCLIC PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-05-17 WO disclosed
EP-0365992-A1 Heterocyclic peptide renin inhibitors ABBOTT LABORATORIES (US) 1990-05-02 EP disclosed