SCHEMBL7469192

SCHEMBL7469192

O=C(CNC(=O)OCc1cccc(Cl)c1)NCC(CCCN1CCC(c2ccccc2)CC1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.79
CCR3 P51677 10/20 0.46
CCR1 P32246 9/20 0.46
DRD2 P14416 1/20 0.43
PRCP P42785 3/20 0.42
SIGMAR1 Q99720 1/20 0.41
CCR2 P41597 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
SCHEMBL7466099 0.97 MCHR1 (0.85) MCHR1CCR3CCR1DRD2
SCHEMBL7462063 0.91 MCHR1 (0.89) MCHR1CCR3CCR1PRCPSIGMAR1
SCHEMBL7463098 0.89 MCHR1 (1.00) MCHR1CCR3CCR1SIGMAR1
Hydrochloric Acid SCHEMBL7463694 0.88 MCHR1 (0.98) MCHR1CCR3CCR1SIGMAR1
SCHEMBL7459727 0.86 MCHR1 (0.82) MCHR1CCR3CCR1DRD2SIGMAR1
SCHEMBL7458837 0.85 MCHR1 (0.85) MCHR1CCR3CCR1DRD2CCR2
SCHEMBL7463951 0.84 MCHR1 (0.68) MCHR1CCR3CCR1DRD2PRCP
Hydrochloric Acid SCHEMBL7465351 0.84 MCHR1 (0.83) MCHR1CCR3CCR1DRD2CCR2
Hydrochloric Acid SCHEMBL7467690 0.84 MCHR1 (0.83) MCHR1CCR3CCR1DRD2SIGMAR1
Hydrochloric Acid SCHEMBL7465860 0.84 MCHR1 (0.90) MCHR1CCR1PRCPSIGMAR1

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