SCHEMBL8982071

SCHEMBL8982071

CCCc1nc(CC)c(CC(=O)O)n1Cc1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.52
AGTR2 P50052 2/20 0.52
PPARG P37231 3/20 0.45

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
SCHEMBL8982072 0.91 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL9003683 0.83 AGTR1 (0.59) AGTR1AGTR2PPARG
Hydrochloric Acid SCHEMBL9003832 0.82 AGTR1 (0.58) AGTR1AGTR2PPARG
SCHEMBL9003686 0.81 PPARG (0.48) AGTR1AGTR2PPARG
Hydrochloric Acid SCHEMBL9003835 0.80 PPARG (0.48) AGTR1AGTR2PPARG
SCHEMBL9003778 0.77 AGTR2 (0.45) AGTR1AGTR2PPARG
SCHEMBL9003775 0.74 PPARG (0.42) AGTR1AGTR2PPARG
SCHEMBL9131130 0.73 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL9471931 0.70 PTGS2 (0.46) AGTR1AGTR2PPARG
SCHEMBL11269513 0.68 AGTR1 (0.80) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5519143-A Process for the isolation and purification of an imidazole stereoisomer from a mixture of stereoisomers by selective precipitation THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-05-21 US claimed
US-5519143-A Process for the isolation and purification of an imidazole stereoisomer from a mixture of stereoisomers by selective precipitation THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-05-21 US disclosed
US-5510495-A Process for the isolation and purification of ester functionalized imidazole intermediates by selective hydrolysis THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-04-23 US disclosed