SCHEMBL5336632

SCHEMBL5336632

CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1COC(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.72
▸ AGTR1 P30556 3/20 0.72
▸ AGTR2 P50052 2/20 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

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
SCHEMBL3229877 0.88 PPARG (0.84) PPARGAGTR1AGTR2KDM4EABCC3
SCHEMBL19432748 0.87 PPARG (0.81) PPARGAGTR1AGTR2KDM4EABCC3
SCHEMBL255337 0.85 AGTR1 (0.84) PPARGAGTR1AGTR2KDM4EABCC3
Hydrochloric Acid SCHEMBL1203765 0.85 PPARG (0.78) PPARGAGTR1AGTR2KDM4EABCC3
SCHEMBL17948609 0.84 PPARG (0.84) PPARGAGTR1AGTR2KDM4EABCC3
Telmisartan SCHEMBL29414101 0.84 AGTR1 (1.00) PPARGAGTR1AGTR2KDM4EABCC3
Telmisartan SCHEMBL29691699 0.84 AGTR1 (1.00) PPARGAGTR1AGTR2KDM4EABCC3
Telmisartan SCHEMBL29356790 0.84 AGTR1 (1.00) PPARGAGTR1AGTR2KDM4EABCC3
Telmisartan SCHEMBL4464 0.84 AGTR1 (1.00) PPARGAGTR1AGTR2KDM4EABCC3
Telmisartan SCHEMBL2122886 0.84 AGTR1 (1.00) PPARGAGTR1AGTR2KDM4EABCC3

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
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