SCHEMBL9003683

SCHEMBL9003683

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

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.59
PPARG P37231 2/20 0.48
AGTR2 P50052 1/20 0.48

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
Hydrochloric Acid SCHEMBL9003832 0.99 AGTR1 (0.58) AGTR1PPARGAGTR2
SCHEMBL8982071 0.83 AGTR1 (0.52) AGTR1PPARGAGTR2
SCHEMBL29308424 0.82 AGTR1 (0.65) AGTR1PPARGAGTR2
SCHEMBL8982072 0.81 AGTR1 (0.49) AGTR1PPARGAGTR2
SCHEMBL9003686 0.80 PPARG (0.48) AGTR1PPARGAGTR2
SCHEMBL9131130 0.80 AGTR1 (0.49) AGTR1PPARGAGTR2
Hydrochloric Acid SCHEMBL9003835 0.79 PPARG (0.48) AGTR1PPARGAGTR2
SCHEMBL9003778 0.79 AGTR2 (0.45) AGTR1PPARGAGTR2
SCHEMBL29726885 0.78 AGTR1 (0.64) AGTR1PPARG
SCHEMBL5133186 0.78 AGTR1 (0.52) 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 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