SCHEMBL7465649

SCHEMBL7465649

O=C(CNC(=O)c1cc2ccccc2[nH]1)NCC(CCCN1CCC(c2ccccc2F)CC1)(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
DRD3 P35462 6/20 0.42
DRD2 P14416 4/20 0.42
HTR1A P08908 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
PLD2 O14939 4/20 0.42
PLD1 Q13393 3/20 0.42
ALDH1A1 P00352 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
DRD4 P21917 2/20 0.40
SLC2A1 P11166 1/20 0.40
RBP4 P02753 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
SCHEMBL7459832 0.95 MCHR1 (0.51) MCHR1SLC6A2SLC6A4KDM4EHSD17B10
SCHEMBL7459200 0.94 MCHR1 (0.45) MCHR1SLC6A2SLC6A4KDM4EHSD17B10
SCHEMBL7466835 0.94 MCHR1 (0.45) MCHR1SLC6A2SLC6A4KDM4EHSD17B10
SCHEMBL7455892 0.92 MCHR1 (0.43) MCHR1DRD3DRD2HTR1AHTR2C
SCHEMBL7463847 0.92 DRD3 (0.48) MCHR1SLC6A2SLC6A4KDM4EHSD17B10
SCHEMBL7461371 0.91 MCHR1 (0.56) MCHR1SLC6A2SLC6A4KDM4EHSD17B10
SCHEMBL7460453 0.91 CCR1 (0.44) MCHR1DRD3DRD2HTR1AHTR2C
SCHEMBL7458988 0.88 MCHR1 (0.48) MCHR1DRD3
SCHEMBL7470930 0.87 MCHR1 (0.42) MCHR1DRD3
SCHEMBL7465486 0.86 DRD4 (0.48) MCHR1SLC6A2SLC6A4KDM4EHSD17B10

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