SCHEMBL4396410

SCHEMBL4396410

Cc1ccc(-c2cccc3[nH]c(OC(=O)NC4CCN(CCN5CCCCCC5)CC4)cc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
MCHR1 Q99705 2/20 0.40
WNT1 P04628 1/20 0.38
DYRK1A Q13627 1/20 0.38
FAAH O00519 4/20 0.37
HRH3 Q9Y5N1 1/20 0.37
KDM4E B2RXH2 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MGLL Q99685 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 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 0.92 HTR7 (0.43) FAAHKDM4EALDH1A1
SCHEMBL4396992 0.91 KMT2A (0.41) MCHR1DYRK1AFAAHKDM4E
SCHEMBL4394199 0.91 CHRM3 (0.41) WNT1DYRK1AFAAH
SCHEMBL4396457 0.90 HRH3 (0.42) L3MBTL1FAAHHRH3KDM4EALDH1A1
SCHEMBL4410349 0.90 HRH3 (0.42) L3MBTL1FAAHHRH3KDM4EALDH1A1
SCHEMBL4401571 0.90 HPGDS (0.39) WNT1DYRK1A
SCHEMBL4406835 0.89 CHRM3 (0.40) MCHR1WNT1DYRK1AFAAH
SCHEMBL4405570 0.88 TLR7 (0.43) DYRK1AKDM4ERXFP1HPGDHTT
SCHEMBL4405673 0.88 CHRM3 (0.42) MCHR1WNT1DYRK1AHRH3
SCHEMBL4396957 0.87 TLR9 (0.42) WNT1DYRK1A

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