SCHEMBL4394199

SCHEMBL4394199

CN(C)c1ccc(-c2cccc3[nH]c(OC(=O)NC4CCN(CCN5CCCCCC5)CC4)cc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.41
RAD52 P43351 1/20 0.38
DYRK1A Q13627 2/20 0.36
WNT1 P04628 1/20 0.36
ACKR3 P25106 1/20 0.36
SLC18A2 Q05940 1/20 0.36
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
HTR4 Q13639 1/20 0.35
HTR7 P34969 2/20 0.35
HTR1A P08908 1/20 0.35
HPGDS O60760 1/20 0.34
FAAH O00519 1/20 0.34

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
SCHEMBL4396410 0.91 L3MBTL1 (0.40) DYRK1AWNT1FAAH
SCHEMBL4396337 0.90 HTR7 (0.43) HTR7HTR1AFAAH
SCHEMBL4396992 0.89 KMT2A (0.41) CHRM3DYRK1AACKR3HTR4FAAH
SCHEMBL4396457 0.88 HRH3 (0.42) HTR7HTR1AFAAH
SCHEMBL4410349 0.88 HRH3 (0.42) HTR7HTR1AFAAH
SCHEMBL4401571 0.87 HPGDS (0.39) DYRK1AWNT1HTR7HTR1AHPGDS
SCHEMBL4406835 0.87 CHRM3 (0.40) CHRM3DYRK1AWNT1FAAH
SCHEMBL4405570 0.86 TLR7 (0.43) RAD52DYRK1AHTR4
SCHEMBL914333 0.85 KDM4E (0.43) CHRM3RAD52DYRK1AWNT1ACKR3
SCHEMBL4405673 0.85 CHRM3 (0.42) CHRM3DYRK1AWNT1

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