SCHEMBL8315967

SCHEMBL8315967

CCCC(=O)C(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.40
LTB4R2 Q9NPC1 3/20 0.38
ABCB11 O95342 1/20 0.38
GP6 Q9HCN6 1/20 0.38
BRS3 P32247 5/20 0.38
PPARA Q07869 3/20 0.36
PPARG P37231 2/20 0.36

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
SCHEMBL9251535 0.90 MMP8 (0.39) AGTR1LTB4R2ABCB11GP6
SCHEMBL9254418 0.84 PPARG (0.35) AGTR1BRS3PPARAPPARG
SCHEMBL7311411 0.84 AGTR1 (0.41) AGTR1LTB4R2ABCB11GP6BRS3
SCHEMBL9489773 0.80 AGTR1 (0.58) AGTR1LTB4R2ABCB11GP6
SCHEMBL9488684 0.80 AGTR1 (0.58) AGTR1LTB4R2ABCB11GP6
SCHEMBL9709552 0.80 IAPP (0.40) AGTR1LTB4R2BRS3
SCHEMBL840644 0.79 AGTR1 (0.35) AGTR1LTB4R2ABCB11GP6
SCHEMBL7271536 0.79 AGTR1 (0.62) AGTR1LTB4R2ABCB11GP6
SCHEMBL7271546 0.79 AGTR1 (0.62) AGTR1LTB4R2ABCB11GP6
SCHEMBL840643 0.79 AGTR1 (0.37) AGTR1LTB4R2ABCB11GP6

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
EP-0628046-B1 TRIAZOLOPYRIMIDIN DERIVATIVES AS ANTIOTENSIN II RECEPTOR ANTAGONISTS UNION PHARMA SCIENT APPL (FR) 1999-05-12 EP disclosed
WO-1993017024-A1 TRIAZOLOPYRIMIDIN DERIVATIVES AS ANTIOTENSIN II RECEPTOR ANTAGONISTS LABORATOIRES UPSA (FR) 1993-09-02 WO disclosed