SCHEMBL7312142

SCHEMBL7312142

CCCc1nc(NN)nc(O)c1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.46
ESR2 Q92731 1/20 0.40
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
APLNR P35414 1/20 0.36
ACHE P22303 1/20 0.35
FFAR1 O14842 1/20 0.35
AKR1B1 P15121 1/20 0.35
MYC P01106 1/20 0.35
WDR5 P61964 1/20 0.35

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
SCHEMBL9311025 0.85 PPARG (0.49) PPARGESR2AGTR1AGTR2APLNR
SCHEMBL9307715 0.85 PPARG (0.49) PPARGESR2AGTR1AGTR2
SCHEMBL8312740 0.85 PPARG (0.48) PPARGESR2AGTR1AGTR2
SCHEMBL9309735 0.85 PPARG (0.48) PPARGESR2AGTR1AGTR2APLNR
SCHEMBL7308446 0.83 PPARG (0.47) PPARGESR2AGTR1AGTR2APLNR
SCHEMBL9308255 0.81 PPARG (0.46) PPARGESR2AGTR1AGTR2APLNR
SCHEMBL9308863 0.81 PPARG (0.46) PPARGESR2ACHEFFAR1AKR1B1
SCHEMBL9308512 0.81 PPARG (0.45) PPARGESR2AGTR1AGTR2ACHE
SCHEMBL9308565 0.81 PPARG (0.45) PPARGAGTR1
SCHEMBL9846024 0.81 PPARG (0.47) PPARGESR2AGTR1AGTR2APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628046-B1 TRIAZOLOPYRIMIDIN DERIVATIVES AS ANTIOTENSIN II RECEPTOR ANTAGONISTS UNION PHARMA SCIENT APPL (FR) 1999-05-12 EP disclosed
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
EP-0628046-A1 TRIAZOLOPYRIMIDIN DERIVATIVES AS ANTIOTENSIN II RECEPTOR ANTAGONISTS LABORATOIRES UPSA (FR) 1994-12-14 EP disclosed
WO-1993017024-A1 TRIAZOLOPYRIMIDIN DERIVATIVES AS ANTIOTENSIN II RECEPTOR ANTAGONISTS LABORATOIRES UPSA (FR) 1993-09-02 WO disclosed
US-5231094-A Cardiovascular disorders SOCIETE ANONYME: LABORATOIRES UPSA (FR) 1993-07-27 US disclosed