SCHEMBL7459555

SCHEMBL7459555

COc1ccc(COC(=O)NCC(=O)NCC(CCCN2CCC(c3ccccc3)CC2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.86
CCR1 P32246 2/20 0.45
CCR3 P51677 2/20 0.45
SIGMAR1 Q99720 3/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
OPRM1 P35372 1/20 0.43
CHRM4 P08173 1/20 0.42
CACNA1G O43497 1/20 0.42
CCR2 P41597 4/20 0.41
MAOB P27338 2/20 0.41
CYP2J2 P51589 1/20 0.41
MAOA P21397 1/20 0.41
SLC18A3 Q16572 1/20 0.40

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 SCHEMBL7466901 0.96 MCHR1 (0.85) MCHR1CCR1CCR3SIGMAR1ALDH1A1
SCHEMBL7463098 0.93 MCHR1 (1.00) MCHR1CCR1CCR3SIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL7463694 0.92 MCHR1 (0.98) MCHR1CCR1CCR3SIGMAR1ALDH1A1
SCHEMBL7459727 0.92 MCHR1 (0.82) MCHR1CCR1CCR3SIGMAR1RAB9A
Hydrochloric Acid SCHEMBL7466646 0.91 MCHR1 (0.81) MCHR1CCR1CCR3SIGMAR1CHRM4
SCHEMBL7462063 0.90 MCHR1 (0.89) MCHR1CCR1CCR3SIGMAR1
SCHEMBL7455074 0.88 MCHR1 (0.83) MCHR1SIGMAR1
Hydrochloric Acid SCHEMBL7465860 0.87 MCHR1 (0.90) MCHR1CCR1SIGMAR1ALDH1A1CHRM4
SCHEMBL7465416 0.87 MCHR1 (0.78) MCHR1CCR1CCR3SIGMAR1CACNA1G
Hydrochloric Acid SCHEMBL7461498 0.86 MCHR1 (0.87) MCHR1CCR1CCR3ALDH1A1CHRM4

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