SCHEMBL7463233

SCHEMBL7463233

O=C(CNC(=O)OCc1ccccc1)NCC(CCCN1CCC(c2ccccc2F)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.80
CHRM4 P08173 1/20 0.43
CCR3 P51677 9/20 0.41
CCR1 P32246 7/20 0.41
ALDH1A1 P00352 1/20 0.41
PREP P48147 2/20 0.40
BCHE P06276 1/20 0.39
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
DRD4 P21917 1/20 0.37

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 SCHEMBL7465677 0.99 MCHR1 (0.79) MCHR1CHRM4CCR3CCR1ALDH1A1
SCHEMBL7463098 0.89 MCHR1 (1.00) MCHR1CCR3CCR1ALDH1A1PREP
SCHEMBL7459747 0.89 MCHR1 (0.78) MCHR1CHRM4CCR3CCR1ALDH1A1
Hydrochloric Acid SCHEMBL7463694 0.88 MCHR1 (0.98) MCHR1CCR3CCR1ALDH1A1PREP
Hydrochloric Acid SCHEMBL7462015 0.88 MCHR1 (0.77) MCHR1CHRM4CCR3CCR1ALDH1A1
Hydrochloric Acid SCHEMBL7461498 0.88 MCHR1 (0.87) MCHR1CHRM4CCR3CCR1ALDH1A1
SCHEMBL7463853 0.88 MCHR1 (0.61) MCHR1CHRM4CCR3CCR1DRD4
Hydrochloric Acid SCHEMBL7455700 0.86 MCHR1 (0.71) MCHR1CCR3CCR1ALDH1A1TPSAB1
SCHEMBL7458837 0.86 MCHR1 (0.85) MCHR1CHRM4CCR3CCR1ALDH1A1
Hydrochloric Acid SCHEMBL7465351 0.86 MCHR1 (0.83) MCHR1CHRM4CCR3CCR1ALDH1A1

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