SCHEMBL7465486

SCHEMBL7465486

COc1ccccc1C1CCN(CCCC(CNC(=O)CNC(=O)c2cc3ccccc3[nH]2)(c2ccc(C)cc2)c2ccc(C)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 10/20 0.48
DRD3 P35462 9/20 0.48
DRD2 P14416 8/20 0.48
CACNA1G O43497 1/20 0.46
KCNH2 Q12809 1/20 0.46
MCHR1 Q99705 1/20 0.46
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
TAOK1 Q7L7X3 1/20 0.42
TAOK3 Q9H2K8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR1A P08908 1/20 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
SCHEMBL7463847 0.94 DRD3 (0.48) DRD4DRD3DRD2CACNA1GKCNH2
SCHEMBL7468710 0.93 CACNA1G (0.43) DRD4DRD3DRD2CACNA1GKCNH2
SCHEMBL7459200 0.90 MCHR1 (0.45) DRD4DRD3DRD2MCHR1SLC6A2
SCHEMBL7470101 0.89 MCHR1 (0.56) DRD4DRD3DRD2MCHR1SLC6A2
SCHEMBL7460484 0.87 CACNA1G (0.43) DRD4DRD3DRD2CACNA1GKCNH2
SCHEMBL7465649 0.86 MCHR1 (0.46) DRD4DRD3DRD2MCHR1SLC6A2
SCHEMBL7459832 0.84 MCHR1 (0.51) DRD4DRD3DRD2MCHR1SLC6A2
SCHEMBL7466835 0.83 MCHR1 (0.45) DRD4DRD3DRD2MCHR1SLC6A2
SCHEMBL7470930 0.83 MCHR1 (0.42) DRD3MCHR1
SCHEMBL7462229 0.83 MCHR1 (0.62) DRD4DRD3DRD2MCHR1SLC6A2

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-1219294-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed