SCHEMBL7681977

SCHEMBL7681977

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP2C9 P11712 2/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DAO P14920 2/20 0.37
MAPT P10636 1/20 0.34
GPR84 Q9NQS5 9/20 0.33
DUT P33316 3/20 0.33
TK1 P04183 1/20 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
SCHEMBL7675267 0.85 CYP1A2 (0.44) CYP1A2CYP2C19KMT2ACYP2C9GAA
SCHEMBL7681735 0.85 KMT2A (0.48) CYP1A2CYP2C19KMT2ACYP2C9GAA
SCHEMBL7679436 0.84 DAO (0.37) CYP1A2CYP2C19KMT2ACYP2C9GAA
SCHEMBL7686410 0.84 CYP1A2 (0.54) CYP1A2CYP2C19KMT2ACYP2C9GAA
SCHEMBL14765232 0.81 CYP1A2 (0.54) CYP1A2CYP2C19KMT2ACYP2C9GAA
SCHEMBL7679685 0.81 KMT2A (0.50) CYP1A2CYP2C19KMT2ACYP2C9GAA
SCHEMBL7684492 0.79 CYP1A2 (0.38) CYP1A2CYP2C19KMT2ACYP2C9GAA
SCHEMBL7681871 0.79 HTT (0.50) CYP1A2CYP2C19KMT2ACYP2C9GAA
SCHEMBL7685825 0.78 CNR2 (0.40) CYP1A2CYP2C19KMT2ACYP2C9GAA
SCHEMBL7677782 0.77 DAO (0.56) KMT2AGAADAOMAPTDUT

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