SCHEMBL9024615

SCHEMBL9024615

COC(=O)c1ccccc1-c1ccc(CNc2cc(C(F)(F)F)nc(C)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 10/20 0.52
SDHB P21912 1/20 0.50
PTGS2 P35354 7/20 0.48
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
SLC6A2 P23975 1/20 0.45

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
SCHEMBL9024448 0.90 AGTR2 (0.52) BDKRB1PTGS2
SCHEMBL9024454 0.83 PTGS2 (0.49) PTGS2
SCHEMBL9024952 0.82 AGTR2 (0.48) BDKRB1PTGS2
Water SCHEMBL9023803 0.81 AGTR2 (0.48) BDKRB1PTGS2
Water SCHEMBL9023809 0.81 AGTR2 (0.48) BDKRB1PTGS2
SCHEMBL9024959 0.76 PTGS2 (0.41) PTGS2
SCHEMBL9024837 0.73 AGTR2 (0.60) BDKRB1PTGS2
SCHEMBL9389105 0.73 AGTR2 (0.57) BDKRB1
SCHEMBL3126366 0.73 SLC6A3 (0.58) BDKRB1SLC6A4SLC6A3SLC6A2
SCHEMBL23354041 0.72 SLC6A3 (0.64) BDKRB1SLC6A4SLC6A3SLC6A2

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-0611368-B1 SUBSTITUTED AMINOPYRIMIDINES AS ANGIOTENSIN II ANTAGONISTS AMERICAN HOME PROD (US) 1996-02-07 EP disclosed
US-5336677-A ANTAGONIST OF ANGIOTENSIN II AMERICAN HOME PRODUCTS CORPORATION (US) 1994-08-09 US disclosed