SCHEMBL4539135

SCHEMBL4539135

O=C(c1cc2ccccc2n1CC(F)(F)F)N1CCC(F)(F)C(C(=O)N2CCN(C3CCC3)CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.54
PADI4 Q9UM07 3/20 0.38
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35

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
SCHEMBL4355839 0.83 HRH3 (0.43) HRH3ACACBACACA
SCHEMBL4365848 0.81 HRH3 (0.43) HRH3ACACBACACA
SCHEMBL4357290 0.81 HRH3 (0.44) HRH3ACACBACACA
SCHEMBL4352105 0.80 HRH3 (0.43) HRH3ACACBACACA
SCHEMBL4565355 0.79 HRH3 (0.40) HRH3ACACBACACA
SCHEMBL4364137 0.79 HRH3 (0.39) HRH3
SCHEMBL4353281 0.78 F10 (0.45) HRH3
SCHEMBL3537010 0.77 HRH3 (0.79) HRH3
SCHEMBL4365923 0.76 HRH3 (0.59) HRH3PADI4ACACBACACA
SCHEMBL3536090 0.75 HRH3 (0.76) 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