SCHEMBL7463548

SCHEMBL7463548

O=C(CNC(=O)c1ccc2[nH]ccc2c1)NCC(CCCN1CCC(c2ccccc2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.60
ACHE P22303 2/20 0.44
HTR4 Q13639 2/20 0.44
SIGMAR1 Q99720 1/20 0.42
DRD2 P14416 4/20 0.41
KCNH2 Q12809 2/20 0.41
CHRM1 P11229 1/20 0.41
CCR2 P41597 2/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.38
DRD3 P35462 1/20 0.38
USP5 P45974 1/20 0.38
CCR1 P32246 1/20 0.38

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
SCHEMBL7464749 0.94 MCHR1 (0.61) MCHR1DRD2KCNH2CCR2HDAC3
SCHEMBL7459547 0.89 MCHR1 (0.65) MCHR1DRD2CCR2SLC6A2SLC6A4
SCHEMBL7464781 0.86 MCHR1 (0.73) MCHR1SIGMAR1DRD2KCNH2CCR2
SCHEMBL7470119 0.84 MCHR1 (0.68) MCHR1SIGMAR1DRD2CCR2SLC6A2
SCHEMBL7466997 0.83 MCHR1 (0.61) MCHR1CCR2HDAC3HDAC1ADRA1A
SCHEMBL7467493 0.83 MCHR1 (0.61) MCHR1HTR4HDAC3HDAC1ADRA1A
SCHEMBL7462229 0.83 MCHR1 (0.62) MCHR1DRD2SLC6A2SLC6A4DRD3
SCHEMBL7463521 0.83 MCHR1 (0.66) MCHR1ADRA1ACCR1
SCHEMBL7462164 0.80 MCHR1 (0.62) MCHR1HTR4DRD2CCR2DRD3
SCHEMBL7462536 0.80 MCHR1 (0.58) MCHR1SLC6A2SLC6A4DRD3CCR1

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