SCHEMBL7325296

SCHEMBL7325296

CCCCc1nc(C(Cl)c2ccc(-c3ccccc3C#N)cc2)c(COC)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.38
ACHE P22303 2/20 0.38
APLNR P35414 3/20 0.36
AGTR1 P30556 3/20 0.35
ESR2 Q92731 1/20 0.35
AGTR2 P50052 2/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
BRS3 P32247 1/20 0.32
FFAR1 O14842 1/20 0.32
AKR1B1 P15121 1/20 0.32
TRPA1 O75762 1/20 0.32

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
SCHEMBL3460737 0.89 PPARG (0.40) PPARGACHEAPLNRAGTR1ESR2
SCHEMBL3459617 0.82 ACHE (0.40) PPARGACHEAPLNRAGTR1ESR2
SCHEMBL8070880 0.79 XDH (0.36) PPARGACHEAPLNRAGTR1AGTR2
SCHEMBL6534773 0.73 BRS3 (0.54) AGTR1AGTR2BRS3
SCHEMBL6534662 0.71 BRS3 (0.48) AGTR1AGTR2BRS3
SCHEMBL7050688 0.71 AGTR1 (0.34) PPARGAGTR1AGTR2BRS3
SCHEMBL7657853 0.69 PPARG (0.39) PPARGACHEAPLNRAGTR1ESR2
SCHEMBL9025753 0.68 AGTR1 (0.42) PPARGACHEAPLNRAGTR1ESR2
SCHEMBL9205903 0.67 BRS3 (0.43) AGTR1AGTR2BRS3
SCHEMBL7659925 0.67 ACHE (0.43) PPARGACHEAPLNRAGTR1ESR2

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
EP-0253310-A2 Angiotensin II receptor blocking imidazoles E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-01-20 EP disclosed