SCHEMBL6185353

SCHEMBL6185353

CC(C)(NC(=O)C1(NC(=O)C(F)(F)F)CC1)c1ccc(-c2cccc(F)c2C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 19/20 0.52
CNR1 P21554 1/20 0.52
BRS3 P32247 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
SCHEMBL6185817 0.90 BDKRB1 (0.65) BDKRB1CNR1
SCHEMBL6481569 0.78 BDKRB1 (0.51) BDKRB1CNR1BRS3
SCHEMBL1712893 0.72 BDKRB1 (0.71) BDKRB1CNR1BRS3
SCHEMBL23354270 0.71 IL2 (0.49) BRS3
SCHEMBL6184735 0.69 BDKRB1 (0.84) BDKRB1
SCHEMBL5783737 0.69 BDKRB1 (0.51) BDKRB1CNR1
SCHEMBL1713230 0.68 BDKRB1 (1.00) BDKRB1CNR1
SCHEMBL13449215 0.68 BDKRB1 (1.00) BDKRB1CNR1
SCHEMBL1713231 0.67 BDKRB1 (0.84) BDKRB1CNR1
SCHEMBL7930737 0.66 MEN1 (0.50) BRS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501787-B1 N-BIPHENYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES WITH A SUBSTIITUENT ON THE METHYL USEFUL AS BRADYKININ ANTAGONISTS MERCK & CO INC (US) 2005-11-09 EP claimed