SCHEMBL5336631

SCHEMBL5336631

CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1cccc(-c2ccccc2)c1C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.72
AGTR1 P30556 3/20 0.72
KDM4E B2RXH2 1/20 0.72
ABCC3 O15438 1/20 0.72
ABCC4 O15439 1/20 0.72
USP2 O75604 1/20 0.72
ABCB11 O95342 1/20 0.72
ALDH1A1 P00352 1/20 0.72
CHRM2 P08172 1/20 0.72
CYP3A4 P08684 1/20 0.72
ADRA2A P08913 1/20 0.72
ADORA3 P0DMS8 1/20 0.72
CHRM1 P11229 1/20 0.72
CYP2C9 P11712 1/20 0.72
ACE P12821 1/20 0.72
ADRA2C P18825 1/20 0.72
TBXA2R P21731 1/20 0.72
GLRA1 P23415 1/20 0.72
PDE4A P27815 1/20 0.72
HTR2A P28223 1/20 0.72

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
SCHEMBL5151149 0.88 PPARG (0.81) PPARGAGTR1KDM4EABCC3ABCC4
SCHEMBL29664589 0.87 PPARG (0.80) PPARGAGTR1KDM4EABCC3ABCC4
Hydrochloric Acid SCHEMBL5132178 0.87 PPARG (0.79) PPARGAGTR1KDM4EABCC3ABCC4
SCHEMBL29377244 0.85 PPARG (0.85) PPARGAGTR1KDM4EABCC3ABCC4
SCHEMBL4565984 0.85 PPARG (0.85) PPARGAGTR1KDM4EABCC3ABCC4
SCHEMBL809909 0.84 PPARG (0.78) PPARGAGTR1KDM4EABCC3ABCC4
Telmisartan SCHEMBL4464 0.84 AGTR1 (1.00) PPARGAGTR1KDM4EABCC3ABCC4
Telmisartan SCHEMBL2122886 0.84 AGTR1 (1.00) PPARGAGTR1KDM4EABCC3ABCC4
SCHEMBL4596222 0.84 AGTR1 (0.53) PPARGAGTR1KDM4EABCC3ABCC4
Telmisartan SCHEMBL29414101 0.84 AGTR1 (1.00) PPARGAGTR1KDM4EABCC3ABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007028524-A2 USE OF A DERIVATIVE OF IMIDAZOLE FOR THE TREATMENT OF LEUKOTRIENE RELATED DISORDERS PROUS INSTITUTE FOR BIOMEDICAL RESEARCH S.A. (ES) 2007-03-15 WO claimed