SCHEMBL7459747

SCHEMBL7459747

COc1ccccc1C1CCN(CCCC(CNC(=O)CNC(=O)OCc2ccccc2)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.78
CACNA1G O43497 1/20 0.49
KCNH2 Q12809 1/20 0.49
CHRM4 P08173 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.41
CCR3 P51677 4/20 0.40
CCR1 P32246 3/20 0.40
ALDH1A1 P00352 1/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 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 SCHEMBL7462015 0.99 MCHR1 (0.77) MCHR1CACNA1GKCNH2CHRM4MEN1
SCHEMBL7463233 0.89 MCHR1 (0.80) MCHR1CHRM4DRD4CCR3CCR1
Hydrochloric Acid SCHEMBL7465677 0.88 MCHR1 (0.79) MCHR1CHRM4DRD4CCR3CCR1
SCHEMBL7463098 0.88 MCHR1 (1.00) MCHR1MEN1KMT2ACCR3CCR1
Hydrochloric Acid SCHEMBL7463694 0.87 MCHR1 (0.98) MCHR1MEN1KMT2ACCR3CCR1
Hydrochloric Acid SCHEMBL7466901 0.87 MCHR1 (0.85) MCHR1CHRM4CCR3CCR1ALDH1A1
SCHEMBL7459555 0.86 MCHR1 (0.86) MCHR1CACNA1GCHRM4CCR3CCR1
SCHEMBL7465416 0.86 MCHR1 (0.78) MCHR1CACNA1GKCNH2CCR3CCR1
Hydrochloric Acid SCHEMBL7461498 0.85 MCHR1 (0.87) MCHR1CACNA1GCHRM4DRD2CCR3
Hydrochloric Acid SCHEMBL7466646 0.85 MCHR1 (0.81) MCHR1CHRM4DRD2CCR3CCR1

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 claimed