SCHEMBL4401901

SCHEMBL4401901

COc1cccc2[nH]c(OC(=O)NC3CCN(CCN4CCCCCC4)CC3)cc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 3/20 0.46
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
KMT2A Q03164 1/20 0.44
HRH4 Q9H3N8 1/20 0.43
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
CCR8 P51685 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
ALDH1A1 P00352 1/20 0.40
APLNR P35414 2/20 0.40

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
SCHEMBL4405558 0.90 HTR4 (0.39) HTR4CCR8SMN1; SMN2KDM4EHSD17B10
SCHEMBL4551166 0.88 LMNA (0.42) HTR4DRD3CCR8HTTALDH1A1
SCHEMBL4405631 0.88 SSTR4 (0.40) HTR4
SCHEMBL4402091 0.88 LMNA (0.42) HTR4DRD3CCR8HTTALDH1A1
SCHEMBL4404430 0.88 HTR4 (0.37) HTR4DRD2
SCHEMBL4409097 0.88 CCR8 (0.44) KMT2ACCR8SMN1; SMN2HPGDALDH1A1
SCHEMBL4405570 0.88 TLR7 (0.43) HTR4KMT2ACCR8SMN1; SMN2NPSR1
SCHEMBL4403841 0.88 CCR8 (0.39) HTR4CCR8KDM4E
SCHEMBL4403442 0.87 ADRB2 (0.40) HTR4HRH4SMN1; SMN2KDM4ESIGMAR1
SCHEMBL4400739 0.87 GUCY1B2 (0.37) HTR4MTNR1AMTNR1BDRD2KDM4E

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