SCHEMBL13664683

SCHEMBL13664683

N#CCCCN1CCN(C(=O)c2cc3ccccc3s2)CC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.62
DRD2 P14416 7/20 0.59
DRD3 P35462 7/20 0.59
L3MBTL1 Q9Y468 1/20 0.56
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
DPP4 P27487 2/20 0.48
DPP9 Q86TI2 1/20 0.48
ACKR3 P25106 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
HRH3 Q9Y5N1 2/20 0.47
HDAC6 Q9UBN7 1/20 0.45
DPP8 Q6V1X1 1/20 0.45

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
SCHEMBL12918735 0.85 HRH4 (0.67) HRH4DRD2DRD3L3MBTL1CA12
SCHEMBL7536818 0.79 HRH4 (0.69) HRH4DRD2DRD3L3MBTL1CA12
SCHEMBL18071180 0.78 HRH4 (1.00) HRH4DRD2DRD3L3MBTL1CA12
SCHEMBL24416092 0.75 HRH4 (0.74) HRH4DRD2DRD3L3MBTL1CA12
SCHEMBL16599230 0.73 HRH4 (0.67) HRH4DRD2DRD3L3MBTL1CA12
SCHEMBL933006 0.72 HRH4 (0.70) HRH4DRD2DRD3L3MBTL1CA12
Ethylene SCHEMBL8547383 0.71 HRH4 (0.68) HRH4DRD2DRD3L3MBTL1CA12
SCHEMBL30518039 0.70 HDAC6 (0.62) HRH4DRD2DRD3L3MBTL1CA12
SCHEMBL29078106 0.70 HDAC6 (0.62) HRH4DRD2DRD3L3MBTL1CA12
SCHEMBL3769479 0.70 HRH4 (0.55) HRH4DRD2DRD3L3MBTL1CA12

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009126782-A1 HISTAMINE H3 RECEPTOR LIGANDS HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-15 WO disclosed