SCHEMBL7466786

SCHEMBL7466786

COc1ccc(C(CCCN2CCC(c3ccccc3)CC2)(CNC=O)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.54
SIGMAR1 Q99720 3/20 0.46
DRD2 P14416 1/20 0.46
OPRM1 P35372 1/20 0.46
CCR1 P32246 1/20 0.44
CCR3 P51677 1/20 0.44
KCNA3 P22001 1/20 0.44
CYP2J2 P51589 1/20 0.43
CCR2 P41597 5/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41

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
Hydrochloric Acid SCHEMBL7464242 0.99 MCHR1 (0.54) MCHR1SIGMAR1DRD2OPRM1CCR1
SCHEMBL7463216 0.91 MCHR1 (0.60) MCHR1SIGMAR1DRD2KCNA3
Hydrochloric Acid SCHEMBL7469999 0.90 MCHR1 (0.59) MCHR1SIGMAR1DRD2KCNA3
SCHEMBL7462064 0.87 MCHR1 (0.54) MCHR1SIGMAR1CCR1CCR3KCNA3
SCHEMBL7464873 0.87 MCHR1 (0.56) MCHR1SIGMAR1DRD2CCR1CCR3
Hydrochloric Acid SCHEMBL7458878 0.86 MCHR1 (0.54) MCHR1SIGMAR1CCR1CCR3KCNA3
SCHEMBL7460786 0.85 DRD2 (0.52) MCHR1SIGMAR1DRD2OPRM1CCR1
SCHEMBL7464640 0.84 MCHR1 (0.53) MCHR1DRD2CCR1CCR3KCNA3
Hydrochloric Acid SCHEMBL7465064 0.83 MCHR1 (0.52) MCHR1DRD2CCR1CCR3KCNA3
SCHEMBL7462124 0.80 CCR1 (0.67) CCR1CCR3ALDH1A1LMNA

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