SCHEMBL7464749

SCHEMBL7464749

O=C(CNC(=O)c1ccc2cc[nH]c2c1)NCC(CCCN1CCC(c2ccccc2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.61
CCR2 P41597 2/20 0.41
DRD2 P14416 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC3 O15379 2/20 0.40
KCNH2 Q12809 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
HDAC2 Q92769 2/20 0.39
USP5 P45974 1/20 0.39
HTR7 P34969 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 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
SCHEMBL7463548 0.94 MCHR1 (0.60) MCHR1CCR2DRD2HDAC1HDAC3
SCHEMBL7459547 0.89 MCHR1 (0.65) MCHR1CCR2DRD2SLC6A2SLC6A4
SCHEMBL7464781 0.86 MCHR1 (0.73) MCHR1CCR2DRD2KCNH2USP5
SCHEMBL7470119 0.85 MCHR1 (0.68) MCHR1CCR2DRD2SLC6A2SLC6A4
SCHEMBL7467493 0.84 MCHR1 (0.61) MCHR1HDAC1HDAC3ADRA1ADRD3
SCHEMBL7466997 0.84 MCHR1 (0.61) MCHR1CCR2HDAC1HDAC3ADRA1A
SCHEMBL7463521 0.83 MCHR1 (0.66) MCHR1ADRA1AHTR7CCR1
SCHEMBL7462229 0.82 MCHR1 (0.62) MCHR1DRD2SLC6A2SLC6A4DRD3
SCHEMBL7462164 0.81 MCHR1 (0.62) MCHR1CCR2DRD2DRD3
SCHEMBL7464717 0.80 MCHR1 (0.64) MCHR1ADRA1ADRD3HTR7CCR1

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