SCHEMBL7459727

SCHEMBL7459727

COc1cccc(COC(=O)NCC(=O)NCC(CCCN2CCC(c3ccccc3)CC2)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.82
CHRM4 P08173 1/20 0.44
SIGMAR1 Q99720 3/20 0.43
CCR3 P51677 4/20 0.42
HTR2A P28223 1/20 0.42
CCR1 P32246 2/20 0.41
DRD2 P14416 1/20 0.40
CCR2 P41597 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CACNA1G O43497 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
Hydrochloric Acid SCHEMBL7466646 0.95 MCHR1 (0.81) MCHR1CHRM4SIGMAR1CCR3HTR2A
SCHEMBL7459555 0.92 MCHR1 (0.86) MCHR1CHRM4SIGMAR1CCR3CCR1
Hydrochloric Acid SCHEMBL7466901 0.91 MCHR1 (0.85) MCHR1CHRM4SIGMAR1CCR3CCR1
SCHEMBL7463098 0.91 MCHR1 (1.00) MCHR1SIGMAR1CCR3CCR1
Hydrochloric Acid SCHEMBL7463694 0.90 MCHR1 (0.98) MCHR1SIGMAR1CCR3CCR1
SCHEMBL7466099 0.89 MCHR1 (0.85) MCHR1CCR3CCR1DRD2
SCHEMBL7469192 0.86 MCHR1 (0.79) MCHR1SIGMAR1CCR3CCR1DRD2
SCHEMBL7458837 0.86 MCHR1 (0.85) MCHR1CHRM4CCR3CCR1DRD2
Hydrochloric Acid SCHEMBL7467690 0.85 MCHR1 (0.83) MCHR1CHRM4SIGMAR1CCR3CCR1
Hydrochloric Acid SCHEMBL7465351 0.85 MCHR1 (0.83) MCHR1CHRM4CCR3CCR1DRD2

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