SCHEMBL4551165

SCHEMBL4551165

COc1ccc(-c2cccc3[nH]c(OC(=O)NC4CCN(CCN5CCC(O)CC5)CC4)cc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.40
MCHR1 Q99705 3/20 0.40
DRD4 P21917 2/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
KMT2A Q03164 1/20 0.39
DYRK1A Q13627 1/20 0.38
CCR5 P51681 1/20 0.38
CHRM3 P20309 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR7 Q9NYK1 1/20 0.38

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
SCHEMBL4396992 0.93 KMT2A (0.41) SIGMAR1MCHR1DRD4KMT2ADYRK1A
SCHEMBL4411339 0.92 HTR7 (0.38) KMT2ADYRK1ADRD2
SCHEMBL4398653 0.91 MCHR1 (0.37) SIGMAR1MCHR1DRD4KMT2ADYRK1A
SCHEMBL4541737 0.90 SLC2A1 (0.39) SIGMAR1MCHR1DRD4PDCD1CD274
SCHEMBL4403763 0.89 TLR9 (0.42) PDCD1CD274DYRK1ATLR9
SCHEMBL914166 0.86 DRD4 (0.44) MCHR1DRD4KMT2ADYRK1APOLB
SCHEMBL4396457 0.85 HRH3 (0.42) KMT2ASMN1; SMN2DRD2
SCHEMBL4410349 0.85 HRH3 (0.42) KMT2ASMN1; SMN2DRD2
SCHEMBL4396410 0.84 L3MBTL1 (0.40) MCHR1DYRK1A
SCHEMBL4405570 0.83 TLR7 (0.43) SIGMAR1KMT2ADYRK1ASMN1; SMN2TLR9

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