SCHEMBL4698910

SCHEMBL4698910

COCCN1CCN(c2cccc(Nc3ccc(C(=O)OCCO)cc3N)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 7/20 0.46
ADORA2B P29275 4/20 0.46
HTR7 P34969 1/20 0.44
NPC1 O15118 2/20 0.42
PTGER4 P35408 2/20 0.42
GAA P10253 2/20 0.42
GFER P55789 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA1A P35348 1/20 0.40
DRD3 P35462 1/20 0.40
MAPT P10636 3/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
HTR1A P08908 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL2662336 0.93 HTR4 (0.42) HTR4ADORA2BHTR7NPC1GAA
SCHEMBL2662043 0.90 HTR1D (0.44) NPC1PTGER4GAAGFERHRH3
SCHEMBL2661450 0.89 TSHR (0.44) HTR4ADORA2BHTR7NPC1PTGER4
SCHEMBL2651673 0.88 PTGER4 (0.45) HTR4ADORA2BHTR7NPC1PTGER4
SCHEMBL2652470 0.88 HTR1D (0.45) HTR4ADORA2BHTR7NPC1PTGER4
SCHEMBL2650037 0.87 TSHR (0.42) HTR4ADORA2BHTR7NPC1GAA
SCHEMBL2651644 0.87 JAK2 (0.42) HTR4ADORA2BNPC1GAAGFER
SCHEMBL2653364 0.87 HTR7 (0.45) HTR4ADORA2BHTR7NPC1DRD2
SCHEMBL2650857 0.87 TSHR (0.43) HTR4ADORA2BHTR7NPC1PTGER4
SCHEMBL2662153 0.87 GAA (0.44) HTR4ADORA2BHTR7NPC1PTGER4

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-1615896-B1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2008-04-23 EP disclosed