SCHEMBL9752797

SCHEMBL9752797

CC1(C)Oc2cc(C(F)(F)F)ccc2[C@H](NC(=O)c2ccc(F)cc2)[C@H]1O

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 7/20 0.52
KCNA5 P22460 1/20 0.43

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
SCHEMBL9752798 1.00 ABCC9 (0.52) ABCC9KCNA5
SCHEMBL7475635 0.91 ABCC9 (0.60) ABCC9KCNA5
SCHEMBL7473899 0.91 ABCC9 (0.60) ABCC9KCNA5
SCHEMBL7473903 0.91 ABCC9 (0.60) ABCC9KCNA5
SCHEMBL7896480 0.86 ABCC9 (0.54) ABCC9
SCHEMBL7896484 0.86 ABCC9 (0.54) ABCC9
SCHEMBL7896477 0.86 ABCC9 (0.54) ABCC9
SCHEMBL7472291 0.83 ABCC9 (0.59) ABCC9
SCHEMBL7472285 0.83 ABCC9 (0.59) ABCC9
SCHEMBL7478366 0.83 ABCC9 (0.59) ABCC9

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
WO-1991009031-A1 TRIFLUOROMETHYL SUBSTITUTED COMPOUNDS AND A PHARMACEUTICAL COMPOSITION BEECHAM GROUP PLC (GB) 1991-06-27 WO claimed
WO-1991009031-A1 TRIFLUOROMETHYL SUBSTITUTED COMPOUNDS AND A PHARMACEUTICAL COMPOSITION BEECHAM GROUP PLC (GB) 1991-06-27 WO disclosed