SCHEMBL7465416

SCHEMBL7465416

COc1ccccc1COC(=O)NCC(=O)NCC(CCCN1CCC(c2ccccc2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.78
DRD3 P35462 2/20 0.41
CACNA1G O43497 2/20 0.40
SLC18A3 Q16572 1/20 0.40
KCNH2 Q12809 1/20 0.40
CCR3 P51677 3/20 0.40
CCR1 P32246 2/20 0.40
CCR2 P41597 1/20 0.38
SIGMAR1 Q99720 3/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 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
SCHEMBL7453889 0.89 MCHR1 (0.80) MCHR1DRD3SLC18A3CCR3CCR1
SCHEMBL7463098 0.88 MCHR1 (1.00) MCHR1SLC18A3CCR3CCR1SIGMAR1
SCHEMBL7459555 0.87 MCHR1 (0.86) MCHR1CACNA1GSLC18A3CCR3CCR1
Hydrochloric Acid SCHEMBL7463694 0.87 MCHR1 (0.98) MCHR1SLC18A3CCR3CCR1SIGMAR1
SCHEMBL7459747 0.86 MCHR1 (0.78) MCHR1CACNA1GKCNH2CCR3CCR1
SCHEMBL7459727 0.85 MCHR1 (0.82) MCHR1CACNA1GCCR3CCR1CCR2
Hydrochloric Acid SCHEMBL7462015 0.85 MCHR1 (0.77) MCHR1CACNA1GKCNH2CCR3CCR1
Hydrochloric Acid SCHEMBL7466901 0.85 MCHR1 (0.85) MCHR1CCR3CCR1CCR2SIGMAR1
SCHEMBL7462063 0.84 MCHR1 (0.89) MCHR1CCR3CCR1SIGMAR1
SCHEMBL7460707 0.83 MCHR1 (0.76) MCHR1SLC18A3CCR3CCR1CCR2

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