SCHEMBL7313672

SCHEMBL7313672

CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(O)nc2nncn12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.46
APLNR P35414 2/20 0.38
ESR2 Q92731 1/20 0.38
AGTR1 P30556 4/20 0.37
AGTR2 P50052 3/20 0.37
ACHE P22303 1/20 0.36
GRIA2 P42262 1/20 0.35
GRIA4 P48058 1/20 0.35
EED O75530 1/20 0.35
FFAR1 O14842 1/20 0.34
AKR1B1 P15121 1/20 0.34
AXL P30530 1/20 0.34
FLT3 P36888 1/20 0.34
MERTK Q12866 1/20 0.34

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
SCHEMBL7319298 0.89 PPARG (0.37) PPARGAPLNRESR2AGTR1AGTR2
SCHEMBL7308530 0.85 PPARG (0.44) PPARGESR2AGTR1AGTR2
SCHEMBL7315124 0.84 PPARG (0.47) PPARGAPLNRESR2AGTR1AGTR2
SCHEMBL9250971 0.82 PPARG (0.46) PPARGAPLNRESR2AGTR1AGTR2
SCHEMBL9254593 0.82 PPARG (0.47) PPARGAGTR1AGTR2
SCHEMBL7311768 0.81 PPARG (0.46) PPARG
SCHEMBL9256457 0.80 PPARG (0.46) PPARGAPLNRESR2AGTR1AGTR2
SCHEMBL9256665 0.80 PPARG (0.46) PPARGAPLNRESR2AGTR1AGTR2
SCHEMBL9256269 0.80 PPARG (0.44) PPARGAPLNRESR2AGTR1AGTR2
SCHEMBL9257368 0.79 PPARG (0.44) PPARGAPLNRESR2AGTR1AGTR2

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-5387747-A Used in the treatment and prevention of cardiovascular diseases: hypertension, cardiac insufficiency and atherosclerosis LABORATOIRES UPSA (FR) 1995-02-07 US disclosed
US-5231094-A Cardiovascular disorders SOCIETE ANONYME: LABORATOIRES UPSA (FR) 1993-07-27 US disclosed