SCHEMBL10587607

SCHEMBL10587607

CCCCC1(C)NC(I)=C(O)N1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.42
PPARG P37231 3/20 0.42
ESR2 Q92731 1/20 0.39
AGTR1 P30556 3/20 0.38
AGTR2 P50052 2/20 0.38
PRKAG1 P54619 3/20 0.35
PRKAA1 Q13131 3/20 0.35
PRKAB1 Q9Y478 3/20 0.35
CNR2 P34972 1/20 0.35
APLNR P35414 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33

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
SCHEMBL10589349 0.84 PPARG (0.47) ACHEPPARGESR2AGTR1AGTR2
SCHEMBL8330503 0.74 ACHE (0.38) ACHEPPARGESR2AGTR1AGTR2
SCHEMBL8900515 0.69 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL2692039 0.68 PPARG (0.53) ACHEPPARGESR2AGTR1AGTR2
SCHEMBL11093755 0.67 KDM4E (0.34)
SCHEMBL4253889 0.67 HSD17B10 (0.58) ACHEPPARGESR2AGTR1AGTR2
SCHEMBL10718048 0.66 HSD17B10 (0.60) ACHEPPARGESR2AGTR1AGTR2
SCHEMBL6954649 0.66 HSD17B10 (0.60) ACHEPPARGESR2AGTR1AGTR2
SCHEMBL6954317 0.66 HSD17B10 (0.60) ACHEPPARGESR2AGTR1AGTR2
SCHEMBL4256521 0.66 HSD17B10 (0.60) ACHEPPARGESR2AGTR1AGTR2

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-0324377-A2 Angiotensin II receptor blocking imidazoles and combinations thereof with diuretics and NSaids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-19 EP disclosed