SCHEMBL7681871

SCHEMBL7681871

CCCCc1cn(CCC(C)C)c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
CYP2C19 P33261 4/20 0.40
CYP1A2 P05177 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 2/20 0.40
CYP2C9 P11712 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
DAO P14920 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
VDR P11473 1/20 0.34
ATM Q13315 1/20 0.34
GPR84 Q9NQS5 3/20 0.33

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
SCHEMBL7685334 0.88 HTT (0.43) HTTCYP2C19CYP1A2KMT2AGAA
SCHEMBL7681735 0.85 KMT2A (0.48) CYP2C19CYP1A2KMT2AGAAMEN1
SCHEMBL7675267 0.85 CYP1A2 (0.44) CYP2C19CYP1A2KMT2AGAAMEN1
SCHEMBL7679051 0.84 SMN1; SMN2 (0.37) CYP2C19CYP1A2KMT2AGAAMEN1
SCHEMBL7686410 0.84 CYP1A2 (0.54) CYP2C19CYP1A2KMT2AGAAMEN1
SCHEMBL7679685 0.81 KMT2A (0.50) CYP2C19CYP1A2KMT2AGAAMEN1
SCHEMBL14765232 0.81 CYP1A2 (0.54) CYP2C19CYP1A2KMT2AGAAMEN1
SCHEMBL7681977 0.79 CYP1A2 (0.40) CYP2C19CYP1A2KMT2AGAAMEN1
SCHEMBL7682503 0.78 KMT2A (0.44) HTTCYP2C19CYP1A2KMT2AGAA
SCHEMBL7681877 0.77 GPR84 (0.37) CYP2C19CYP1A2KMT2AGAAMEN1

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-0579766-B1 N-ARYLHETEROARYLALKYL IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS SEARLE & CO (US) 1999-06-02 EP disclosed
EP-0508393-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