SCHEMBL1398007

SCHEMBL1398007

COC(=O)On1c(C(=O)N2CCC(F)(F)CC2)cc2cc(OC3CCN(C(C)C)CC3)ccc21

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.77
CYP2D6 P10635 1/20 0.77

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
SCHEMBL1397978 0.88 HRH3 (0.83) HRH3CYP2D6
SCHEMBL1375830 0.87 HRH3 (0.82) HRH3CYP2D6
SCHEMBL1379627 0.87 HRH3 (1.00) HRH3CYP2D6
SCHEMBL1379480 0.86 HRH3 (1.00) HRH3CYP2D6
SCHEMBL5024332 0.85 HRH3 (1.00) HRH3CYP2D6
SCHEMBL5023298 0.85 HRH3 (0.82) HRH3CYP2D6
SCHEMBL1397944 0.84 HRH3 (0.80) HRH3CYP2D6
SCHEMBL1376244 0.83 HRH3 (0.77) HRH3CYP2D6
SCHEMBL5017143 0.83 HRH3 (0.80) HRH3CYP2D6
SCHEMBL1397975 0.83 HRH3 (0.79) HRH3CYP2D6

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-1957479-B1 1,5-SUBSTITUTED INDOL-2-YL AMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-03-02 EP claimed