SCHEMBL5546307

SCHEMBL5546307

CC1CCCN1C(=O)c1cc2cc(OCCC3CCCN3C)ccc2[nH]1.CN1CCCC1CCOc1ccc2[nH]c(C(=O)N3CCCC3)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.56
DRD3 P35462 8/20 0.52
DRD2 P14416 6/20 0.52
HRH4 Q9H3N8 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
AKR1C3 P42330 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
SYK P43405 1/20 0.44
FLT3 P36888 1/20 0.44

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
SCHEMBL5023032 0.96 HRH3 (0.54) HRH3DRD3DRD2HRH4AKR1C3
SCHEMBL5023291 0.96 HRH3 (0.55) HRH3DRD3DRD2HRH4AKR1C3
SCHEMBL5024341 0.93 HRH3 (0.61) HRH3DRD3DRD2HRH4NPC1
SCHEMBL5017210 0.92 HRH3 (0.60) HRH3DRD3DRD2HRH4NPC1
SCHEMBL5025926 0.92 HRH3 (0.60) HRH3DRD3DRD2HRH4NPC1
SCHEMBL5016999 0.91 HRH3 (0.61) HRH3DRD3DRD2HRH4NPC1
SCHEMBL5025949 0.88 HRH3 (0.71) HRH3DRD3DRD2HRH4AKR1C3
SCHEMBL5017140 0.87 HRH4 (0.62) HRH3DRD3DRD2HRH4NPC1
SCHEMBL5017096 0.87 HRH3 (0.58) HRH3DRD3DRD2HRH4AKR1C3
SCHEMBL5024291 0.87 HRH3 (0.60) HRH3DRD3DRD2HRH4AKR1C3

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-1761519-A1 INDOLE DERIVATIVES AS HISTAMINE RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP disclosed
WO-2005123716-A1 INDOLE DERIVATIVES AS HISTAMINE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-29 WO disclosed