SCHEMBL9308844

SCHEMBL9308844

CCCCc1nc(C)nc(O)c1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.45
APLNR P35414 2/20 0.42
ACHE P22303 1/20 0.42
ESR2 Q92731 1/20 0.41
AGTR1 P30556 2/20 0.41
AGTR2 P50052 1/20 0.41

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
SCHEMBL9307715 0.94 PPARG (0.49) PPARGESR2AGTR1AGTR2
SCHEMBL9846039 0.90 PPARG (0.45) PPARGAPLNRACHEESR2AGTR1
SCHEMBL9309571 0.89 ESR2 (0.45) PPARGAPLNRESR2AGTR1AGTR2
SCHEMBL9846024 0.89 PPARG (0.47) PPARGAPLNRACHEESR2AGTR1
SCHEMBL9846092 0.89 PPARG (0.45) PPARGAPLNRACHEESR2AGTR1
SCHEMBL9309290 0.88 PPARG (0.46) PPARGACHEAGTR1AGTR2
SCHEMBL9846031 0.88 PPARG (0.43) PPARGACHEAGTR1
SCHEMBL9846033 0.87 PPARG (0.43) PPARGAPLNRACHEESR2AGTR1
SCHEMBL9846018 0.87 ACHE (0.44) PPARGACHEAGTR1AGTR2
SCHEMBL9846004 0.86 PPARG (0.44) PPARGAPLNRACHEAGTR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5358950-A Useful in treatment of cardiovascular diseases LABORATOIRES UPSA (FR) 1994-10-25 US disclosed
US-5217973-A Treatment of cardiovascular diseases such as hypertension, cardiac insufficiency and diseases of the arterial walls LABORATOIRES UPSA (FR) 1993-06-08 US disclosed
EP-0435827-A2 Diaza compounds CIBA-GEIGY AG (CH) 1991-07-03 EP disclosed
EP-0424317-A2 Pyrimidines CIBA-GEIGY AG (CH) 1991-04-24 EP disclosed