SCHEMBL9003775

SCHEMBL9003775

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

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.42
AGTR2 P50052 2/20 0.39
AGTR1 P30556 1/20 0.39

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
SCHEMBL9003778 0.80 AGTR2 (0.45) PPARGAGTR2AGTR1
SCHEMBL8483902 0.79 AGTR1 (0.44) AGTR2AGTR1
SCHEMBL9003686 0.79 PPARG (0.48) PPARGAGTR2AGTR1
Hydrochloric Acid SCHEMBL9003835 0.78 PPARG (0.48) PPARGAGTR2AGTR1
SCHEMBL8982072 0.77 AGTR1 (0.49) PPARGAGTR2AGTR1
SCHEMBL8982071 0.74 AGTR1 (0.52) PPARGAGTR2AGTR1
SCHEMBL4639444 0.71 AGTR1 (0.59) AGTR2AGTR1
SCHEMBL9003683 0.71 AGTR1 (0.59) PPARGAGTR2AGTR1
Hydrochloric Acid SCHEMBL9003832 0.70 AGTR1 (0.58) PPARGAGTR2AGTR1
SCHEMBL18003756 0.68 TLR7 (0.47) AGTR2AGTR1

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 2 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