SCHEMBL4366003

SCHEMBL4366003

CC(C)N1CCN(C(=O)C2COCCN2C(=O)c2cc3ccccc3n2CC(F)(F)F)CC1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.53
F10 P00742 11/20 0.38
DPP4 P27487 1/20 0.36
DPP9 Q86TI2 1/20 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
SCHEMBL4365923 0.85 HRH3 (0.59) HRH3F10
SCHEMBL4363405 0.80 HRH3 (0.46) HRH3
SCHEMBL4364693 0.76 HRH3 (0.49) HRH3F10
SCHEMBL3539379 0.75 HRH3 (0.71) HRH3
SCHEMBL4364219 0.74 SIGMAR1 (0.43) HRH3
SCHEMBL4373527 0.73 HRH3 (0.44) HRH3F10
SCHEMBL5017103 0.69 HRH3 (1.00) HRH3
SCHEMBL4361046 0.68 PROKR1 (0.43)
SCHEMBL4566872 0.68 HRH3 (0.48) HRH3F10
SCHEMBL3537401 0.68 HRH3 (0.57) 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