SCHEMBL4364693

SCHEMBL4364693

COC1CCN(C(=O)c2cc3ccccc3n2CC(F)(F)F)CC1C(=O)N1CCN(C(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.49
PADI4 Q9UM07 4/20 0.39
F10 P00742 7/20 0.39

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
SCHEMBL4366003 0.76 HRH3 (0.53) HRH3F10
SCHEMBL3538141 0.75 HRH3 (0.63) HRH3
SCHEMBL4539135 0.68 HRH3 (0.54) HRH3PADI4
SCHEMBL3543930 0.68 HRH3 (0.69) HRH3
SCHEMBL3539379 0.68 HRH3 (0.71) HRH3
SCHEMBL5023553 0.67 HRH3 (0.85) HRH3
SCHEMBL3541058 0.67 HRH3 (0.70) HRH3
SCHEMBL3165961 0.66 HRH3 (0.56) HRH3
SCHEMBL4566872 0.66 HRH3 (0.48) HRH3F10
SCHEMBL1375636 0.66 HRH3 (1.00) 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-2010487-A1 5-AMIDO-2-CARBOXAMIDE INDOLES F. Hoffmann-Roche AG (CH) 2009-01-07 EP disclosed
WO-2007115938-A1 5-AMIDO-2-CARBOXAMIDE INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 WO disclosed