SCHEMBL8088552

SCHEMBL8088552

CCCCc1nc2c(=O)n(Cc3ccc(-c4ccccc4)c(C#N)c3)c(I)cc2n1Cc1ccc(-c2ccccc2)c(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
TLR7 Q9NYK1 7/20 0.44
AGTR1 P30556 2/20 0.44
AGTR2 P50052 2/20 0.44
CYP19A1 P11511 1/20 0.41

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
SCHEMBL9443092 0.81 PPARG (0.68) PPARGAGTR1AGTR2
SCHEMBL9844285 0.80 AGTR1 (0.46) PPARGTLR7AGTR1AGTR2CYP19A1
SCHEMBL27528971 0.80 PPARG (0.55) PPARGAGTR1AGTR2
SCHEMBL9843787 0.79 PDE4A (0.44) PPARGAGTR1AGTR2CYP19A1
SCHEMBL9847780 0.78 PPARG (0.56) PPARGAGTR1AGTR2CYP19A1
SCHEMBL9847764 0.78 PPARG (0.55) PPARGAGTR1AGTR2CYP19A1
SCHEMBL9638129 0.78 PPARG (0.57) PPARGAGTR1AGTR2
SCHEMBL9844019 0.78 PPARG (0.43) PPARGAGTR1AGTR2CYP19A1
SCHEMBL9843965 0.77 CYP19A1 (0.46) PPARGAGTR1AGTR2CYP19A1
SCHEMBL27771395 0.77 AGTR1 (0.61) PPARGAGTR1AGTR2CYP19A1

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
US-6037349-A HAVING ANTAGONISTIC PROPERTIES TOWARDS ANGIOTENSIN II CAN BE USED FOR THE TREATMENT OF HYPERTENSION, ALDOSTERONISM AND CARDIAC INSUFFICIENCY MERCK PATENT GMBH (DE) 2000-03-14 US disclosed