SCHEMBL9636907

SCHEMBL9636907

CC/C=C/c1nc2ccc(CO)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.58
AGTR1 P30556 1/20 0.53
AGTR2 P50052 1/20 0.53

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
SCHEMBL9636920 1.00 PPARG (0.58) PPARGAGTR1AGTR2
Trifluoroacetic Acid SCHEMBL8392773 0.82 PPARG (0.49) PPARGAGTR1AGTR2
Trifluoroacetic Acid SCHEMBL8944557 0.82 PPARG (0.49) PPARGAGTR1AGTR2
SCHEMBL154 0.82 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL152 0.82 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL29394795 0.82 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL9636909 0.81 PPARG (0.63) PPARGAGTR1AGTR2
SCHEMBL9853630 0.81 PPARG (0.52) PPARGAGTR1AGTR2
SCHEMBL9853634 0.81 PPARG (0.52) PPARGAGTR1AGTR2
SCHEMBL7054367 0.80 AGTR1 (0.82) PPARGAGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5137906-A Treatment of central nervous system disorders with benzimidazole angiotensin-II receptor antagonists E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-11 US claimed
US-5137906-A Treatment of central nervous system disorders with benzimidazole angiotensin-II receptor antagonists E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-11 US disclosed
US-4880804-A HYPOTENSIVE AGENTS, CONGESTIVE HEART FAILURE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-11-14 US disclosed