SCHEMBL4396593

SCHEMBL4396593

N#Cc1cccc(-c2cccc3[nH]c(OC(=O)NC4CCN(CCN5CCCCCC5)CC4)cc23)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.42
MCHR1 Q99705 6/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
CHRM4 P08173 1/20 0.40
TLR9 Q9NR96 1/20 0.40
LRRK2 Q5S007 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
WNT1 P04628 1/20 0.36
DYRK1A Q13627 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
ACKR3 P25106 1/20 0.36

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
SCHEMBL4396337 0.89 HTR7 (0.43)
SCHEMBL914443 0.86 DRD2 (0.47) CHRM3MCHR1ESR1ESR2TLR9
SCHEMBL4401571 0.85 HPGDS (0.39) WNT1DYRK1A
SCHEMBL4396410 0.85 L3MBTL1 (0.40) MCHR1HRH3WNT1DYRK1A
SCHEMBL4410349 0.84 HRH3 (0.42) HRH3DRD2
SCHEMBL4396457 0.84 HRH3 (0.42) HRH3DRD2
SCHEMBL4405570 0.84 TLR7 (0.43) TLR9DYRK1A
SCHEMBL4396992 0.83 KMT2A (0.41) CHRM3MCHR1DYRK1AACKR3
SCHEMBL4403742 0.83 MCHR1 (0.46) MCHR1TLR9HRH3DRD2DRD3
SCHEMBL4406835 0.83 CHRM3 (0.40) CHRM3MCHR1WNT1DYRK1ADRD2

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
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP claimed