SCHEMBL4566872

SCHEMBL4566872

CCS(=O)(=O)N1CCN(C(=O)c2cc3ccccc3n2CC(F)(F)F)C(Br)C1OC1CCN(C(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.48
F10 P00742 13/20 0.38
F2 P00734 2/20 0.36

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
SCHEMBL3247455 0.68 HRH3 (0.57) HRH3
SCHEMBL4366003 0.68 HRH3 (0.53) HRH3F10
SCHEMBL5023553 0.66 HRH3 (0.85) HRH3
SCHEMBL4364693 0.66 HRH3 (0.49) HRH3F10
SCHEMBL4363405 0.66 HRH3 (0.46) HRH3
SCHEMBL1552105 0.66 HRH3 (0.76) HRH3
SCHEMBL1553226 0.65 HRH3 (0.71) HRH3
SCHEMBL5017103 0.65 HRH3 (1.00) HRH3
SCHEMBL1375636 0.65 HRH3 (1.00) HRH3
SCHEMBL3538141 0.64 HRH3 (0.63) HRH3

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-2118089-A1 INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-11-18 EP disclosed
WO-2008095821-A1 INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-14 WO disclosed