SCHEMBL4352105

SCHEMBL4352105

Cc1ccc(-n2c(C(=O)N3CCC(F)(F)C(C(=O)N4CCN(C5CCCC5)CC4)C3)cc3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.43
USP2 O75604 1/20 0.40
SYK P43405 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
ACACB O00763 2/20 0.37
ACACA Q13085 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KCNH2 Q12809 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
SCHEMBL4357290 0.92 HRH3 (0.44) HRH3USP2ACACBACACA
SCHEMBL4565355 0.89 HRH3 (0.40) HRH3USP2SYKACACBACACA
SCHEMBL4353281 0.87 F10 (0.45) HRH3USP2KDM4EALDH1A1MEN1
SCHEMBL4364137 0.85 HRH3 (0.39) HRH3USP2SYKALDH1A1MEN1
SCHEMBL4365848 0.85 HRH3 (0.43) HRH3USP2SIGMAR1ACACBACACA
SCHEMBL4355839 0.83 HRH3 (0.43) HRH3USP2SIGMAR1ACACBACACA
SCHEMBL4539135 0.80 HRH3 (0.54) HRH3ACACBACACA
SCHEMBL3538363 0.77 HRH3 (0.51) HRH3USP2KDM4EALDH1A1
SCHEMBL5133352 0.72 HCRTR2 (0.38) HRH3
SCHEMBL27739844 0.70 HRH3 (0.50) HRH3USP2KDM4EALDH1A1HPGD

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