SCHEMBL7466997

SCHEMBL7466997

O=C(CNC(=O)c1cccc2cc[nH]c12)NCC(CCCN1CCC(c2ccccc2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.61
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC3 O15379 2/20 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
HDAC5 Q9UQL6 1/20 0.39
CCR1 P32246 4/20 0.39
KCNA3 P22001 1/20 0.38
CCR3 P51677 4/20 0.37
CCR2 P41597 1/20 0.37
DRD3 P35462 1/20 0.37
HTR7 P34969 3/20 0.37
BCHE P06276 1/20 0.37
ADRA1D P25100 1/20 0.36

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
SCHEMBL7467493 0.87 MCHR1 (0.61) MCHR1HDAC1HDAC2HDAC3HDAC4
SCHEMBL7464717 0.85 MCHR1 (0.64) MCHR1CCR1KCNA3CCR3DRD3
SCHEMBL7464749 0.84 MCHR1 (0.61) MCHR1HDAC1HDAC2HDAC3HDAC4
SCHEMBL7463548 0.83 MCHR1 (0.60) MCHR1HDAC1HDAC3CCR1CCR2
SCHEMBL7463521 0.83 MCHR1 (0.66) MCHR1CCR1KCNA3CCR3HTR7
SCHEMBL7465464 0.83 MCHR1 (0.63) MCHR1CCR1KCNA3CCR3DRD3
SCHEMBL7464781 0.83 MCHR1 (0.73) MCHR1CCR1KCNA3CCR3CCR2
SCHEMBL7459547 0.83 MCHR1 (0.65) MCHR1CCR2DRD3ADRA1A
SCHEMBL7462164 0.82 MCHR1 (0.62) MCHR1CCR2DRD3
SCHEMBL7462229 0.81 MCHR1 (0.62) MCHR1DRD3

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