SCHEMBL7460719

SCHEMBL7460719

CC(C)(C)OC(=O)N(CC=O)NCC(CCCN1CCC(c2ccccc2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.53
SLC18A3 Q16572 1/20 0.41
KCNA3 P22001 2/20 0.41
HTR7 P34969 5/20 0.40
CCR2 P41597 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
DRD2 P14416 2/20 0.39
HTR1A P08908 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL7466666 0.94 MCHR1 (0.47) MCHR1SLC18A3CCR2DRD2
SCHEMBL7463962 0.94 MCHR1 (0.47) MCHR1SIGMAR1
SCHEMBL7463862 0.89 MCHR1 (0.42) MCHR1KCNA3CCR2
SCHEMBL7463105 0.87 MCHR1 (0.65) MCHR1SLC18A3HTR7SIGMAR1
Hydrochloric Acid SCHEMBL7463703 0.86 MCHR1 (0.64) MCHR1SLC18A3HTR7SIGMAR1
SCHEMBL7465427 0.85 MCHR1 (0.51) MCHR1SLC18A3HTR7SIGMAR1
SCHEMBL7453896 0.85 MCHR1 (0.53) MCHR1SLC18A3HTR7SIGMAR1
SCHEMBL7464981 0.84 CACNA1G (0.41) MCHR1CCR2ADRA1DADRA1AADRA1B
SCHEMBL7459564 0.84 MCHR1 (0.57) MCHR1SLC18A3CCR2MAOAMAOB
SCHEMBL7462069 0.83 MCHR1 (0.59) MCHR1SIGMAR1

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