SCHEMBL9024952

SCHEMBL9024952

Cc1nc(NCc2ccc(-c3ccccc3C(=O)O)cc2)cc(C(F)(F)C(F)(F)F)n1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 2/20 0.48
LTB4R2 Q9NPC1 1/20 0.43
BRS3 P32247 6/20 0.43
PTGS2 P35354 1/20 0.43
AGTR1 P30556 1/20 0.43
BDKRB1 P46663 1/20 0.43
PPARG P37231 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
Water SCHEMBL9023803 0.99 AGTR2 (0.48) AGTR2LTB4R2BRS3PTGS2AGTR1
Water SCHEMBL9023809 0.99 AGTR2 (0.48) AGTR2LTB4R2BRS3PTGS2AGTR1
SCHEMBL9024448 0.92 AGTR2 (0.52) AGTR2LTB4R2PTGS2AGTR1BDKRB1
SCHEMBL9024959 0.85 PTGS2 (0.41) PTGS2
SCHEMBL9024615 0.82 BDKRB1 (0.52) PTGS2BDKRB1
SCHEMBL9024837 0.80 AGTR2 (0.60) AGTR2LTB4R2PTGS2AGTR1BDKRB1
SCHEMBL9024194 0.78 PTGS2 (0.37) AGTR2PTGS2AGTR1
SCHEMBL9025445 0.78 PTGS2 (0.37) AGTR2PTGS2AGTR1
SCHEMBL9024454 0.77 PTGS2 (0.49) PTGS2
SCHEMBL9024187 0.77 PTGS2 (0.37) AGTR2PTGS2AGTR1

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
EP-0611368-B1 SUBSTITUTED AMINOPYRIMIDINES AS ANGIOTENSIN II ANTAGONISTS AMERICAN HOME PROD (US) 1996-02-07 EP claimed
EP-0611368-A1 SUBSTITUTED AMINOPYRIMIDINES AS ANGIOTENSINE II ANTAGONISTS. AMERICAN HOME PROD (US) 1994-08-24 EP claimed
US-5336677-A ANTAGONIST OF ANGIOTENSIN II AMERICAN HOME PRODUCTS CORPORATION (US) 1994-08-09 US claimed
WO-1993008169-A1 SUBSTITUTED AMINOPYRIMIDINES AS ANGIOTENSINE II ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-04-29 WO claimed