SCHEMBL4364137

SCHEMBL4364137

COc1ncc(-n2c(C(=O)N3CCC(F)(F)C(C(=O)N4CCN(C5CCC5)CC4)C3)cc3ccccc32)cn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.39
HCRTR2 O43614 2/20 0.36
SYK P43405 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
SCN9A Q15858 2/20 0.35
USP2 O75604 1/20 0.34
F10 P00742 1/20 0.34
BDKRB1 P46663 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL4353281 0.87 F10 (0.45) HRH3HCRTR2USP2F10MEN1
SCHEMBL4352105 0.85 HRH3 (0.43) HRH3SYKUSP2MEN1ALDH1A1
SCHEMBL4357290 0.84 HRH3 (0.44) HRH3USP2
SCHEMBL4565355 0.84 HRH3 (0.40) HRH3SYKUSP2
SCHEMBL4355839 0.83 HRH3 (0.43) HRH3USP2
SCHEMBL4365848 0.81 HRH3 (0.43) HRH3USP2ALDH1A1KCNH2
SCHEMBL3541616 0.80 HRH3 (0.50) HRH3ALDH1A1HPGDKCNH2
SCHEMBL4539135 0.79 HRH3 (0.54) HRH3
SCHEMBL5133352 0.75 HCRTR2 (0.38) HRH3HCRTR2
SCHEMBL5058625 0.71 HRH3 (0.35) HRH3SYKUSP2MEN1KMT2A

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