SCHEMBL7685334

SCHEMBL7685334

CCCCn1cc(CCC(C)C)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
KMT2A Q03164 5/20 0.43
CYP2C19 P33261 4/20 0.43
MEN1 O00255 4/20 0.43
CYP1A2 P05177 3/20 0.43
GAA P10253 2/20 0.43
CYP2C9 P11712 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
DAO P14920 2/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
PDE4A P27815 1/20 0.35
ADORA2A P29274 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
TYR P14679 1/20 0.35
RGS4 P49798 1/20 0.34

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
SCHEMBL7681871 0.88 HTT (0.50) HTTKMT2ACYP2C19MEN1CYP1A2
SCHEMBL7681735 0.85 KMT2A (0.48) KMT2ACYP2C19MEN1CYP1A2GAA
SCHEMBL7682503 0.84 KMT2A (0.44) HTTKMT2ACYP2C19MEN1CYP1A2
SCHEMBL7679685 0.84 KMT2A (0.50) KMT2ACYP2C19MEN1CYP1A2GAA
SCHEMBL14765232 0.81 CYP1A2 (0.54) KMT2ACYP2C19MEN1CYP1A2GAA
SCHEMBL7686410 0.81 CYP1A2 (0.54) KMT2ACYP2C19MEN1CYP1A2GAA
SCHEMBL7675267 0.79 CYP1A2 (0.44) KMT2ACYP2C19MEN1CYP1A2GAA
SCHEMBL7679051 0.78 SMN1; SMN2 (0.37) KMT2ACYP2C19MEN1CYP1A2GAA
SCHEMBL7686460 0.77 CYP1A2 (0.41) KMT2ACYP2C19MEN1CYP1A2GAA
SCHEMBL7679806 0.75 CYP2C19 (0.40) HTTKMT2ACYP2C19MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492397-B1 SUCH AS 1-PROPYL-4-BUTYL-1,3-DIHYDRO-3-((5-(2-(1H-TETRAZOL-5-YL)PHENYL)-2 -PYRIDINYL)METHYL)-2H-IMIDAZOL-2-ONE; ANGIO-TENSIN II ANTAGONISTS; CIRCULATORY DISORDERS; HYPERTENSION, CONGESTIVE HEART FAILURE PHARMACIA CORPORATION 2002-12-10 US disclosed
EP-0508393-B1 N-arylheteroarylalkyl imidazol-2-one compounds for treatment of circulatory disorders SEARLE & CO (US) 1999-06-02 EP disclosed
EP-0579766-B1 N-ARYLHETEROARYLALKYL IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS SEARLE & CO (US) 1999-06-02 EP disclosed
US-5861420-A ANGIOTENSIN II ANTAGONISTS G. D. SEARLE & CO. (US) 1999-01-19 US disclosed
US-5441970-A Administering angiotensin II antagonists to treat congestive heart failure or hypertension G. D. SEARLE & CO. (US) 1995-08-15 US disclosed
EP-0579766-A1 N-ARYLHETEROARYLALKYL IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1994-01-26 EP disclosed
WO-1992017469-A2 N-ARYLHETEROARYLALKYL IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-10-15 WO disclosed
EP-0508393-A1 N-arylheteroarylalkyl imidazol-2-one compounds for treatment of circulatory disorders G.D. Searle & Co. (US) 1992-10-14 EP disclosed