SCHEMBL9638129

SCHEMBL9638129

CCCCc1nc2ccc(Cl)cc2n1Cc1ccc(-c2ccccc2)c(C#N)c1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.57
EDNRA P25101 1/20 0.51
AGTR1 P30556 3/20 0.50
AGTR2 P50052 3/20 0.50

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
SCHEMBL9194096 0.91 PPARG (0.70) PPARGEDNRAAGTR1AGTR2
SCHEMBL9443092 0.89 PPARG (0.68) PPARGAGTR1AGTR2
SCHEMBL27528971 0.88 PPARG (0.55) PPARGAGTR1AGTR2
SCHEMBL9847764 0.85 PPARG (0.55) PPARGAGTR1AGTR2
SCHEMBL9442986 0.85 EDNRA (0.54) PPARGEDNRAAGTR1AGTR2
SCHEMBL9847780 0.84 PPARG (0.56) PPARGAGTR1AGTR2
SCHEMBL9200218 0.84 AGTR1 (0.52) PPARGAGTR1AGTR2
SCHEMBL9198282 0.83 PPARG (0.70) PPARGAGTR1AGTR2
SCHEMBL8563884 0.83 PPARG (0.70) PPARGAGTR1AGTR2
SCHEMBL7177667 0.83 AGTR1 (0.63) AGTR1AGTR2

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-5128356-A Angiotensin antagonist; cardiovascular disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-07-07 US disclosed