SCHEMBL7464932

SCHEMBL7464932

Cn1c(C(=O)NCC(=O)NCC(CCCN2CCC(c3ccccc3)CC2)(c2ccccc2)c2ccccc2)cc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.62
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
DRD3 P35462 1/20 0.42
HTR7 P34969 4/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 1/20 0.41
BCHE P06276 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC3 O15379 1/20 0.39
CCR3 P51677 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
KCNA3 P22001 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
SCHEMBL7457512 0.95 MCHR1 (0.56) MCHR1CCR3
SCHEMBL7461321 0.90 MCHR1 (0.51) MCHR1HTR1ADRD2HTR2AHTR2C
SCHEMBL7464781 0.84 MCHR1 (0.73) MCHR1DRD2HTR7CCR3KCNA3
SCHEMBL7459547 0.84 MCHR1 (0.65) MCHR1HTR1ADRD2DRD3ADRA1A
SCHEMBL7464717 0.83 MCHR1 (0.64) MCHR1DRD3HTR7CCR3ADRA1D
SCHEMBL7457730 0.82 MCHR1 (0.48) MCHR1HDAC1HDAC3CCR3
SCHEMBL7462229 0.82 MCHR1 (0.62) MCHR1HTR1ADRD2HTR2AHTR2C
SCHEMBL7458838 0.82 MCHR1 (0.65) MCHR1HTR1ADRD2HTR2AHTR2C
SCHEMBL7465382 0.82 MCHR1 (0.62) MCHR1HTR1ADRD2HTR2AHTR2C
SCHEMBL7470119 0.81 MCHR1 (0.68) MCHR1DRD2DRD3HTR7HPGD

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