SCHEMBL4565355

SCHEMBL4565355

CS(=O)(=O)c1ccc(-n2c(C(=O)N3CCC(F)(F)C(C(=O)N4CCN(C5CCC5)CC4)C3)cc3ccccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.40
HRH1 P35367 1/20 0.40
KDM2B Q8NHM5 1/20 0.35
USP2 O75604 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
SYK P43405 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
SCHEMBL4352105 0.89 HRH3 (0.43) HRH3USP2ACACBACACASYK
SCHEMBL4357290 0.88 HRH3 (0.44) HRH3USP2ACACBACACA
SCHEMBL4364137 0.84 HRH3 (0.39) HRH3USP2SYK
SCHEMBL4353281 0.83 F10 (0.45) HRH3USP2
SCHEMBL4355839 0.82 HRH3 (0.43) HRH3USP2ACACBACACA
SCHEMBL4365848 0.80 HRH3 (0.43) HRH3USP2ACACBACACA
SCHEMBL4539135 0.79 HRH3 (0.54) HRH3ACACBACACA
SCHEMBL3545040 0.78 HRH3 (0.51) HRH3HRH1KDM2B
SCHEMBL27739850 0.72 HRH3 (0.51) HRH3HRH1KDM2B
SCHEMBL5133352 0.71 HCRTR2 (0.38) 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