SCHEMBL7466978

SCHEMBL7466978

COc1ccc2[nH]c(C(=O)NCC(=O)NCC(CCCN3CCC(c4ccccc4F)CC3)(c3ccc(Cl)cc3)c3ccc(Cl)cc3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
DRD2 P14416 4/20 0.44
DRD3 P35462 4/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MCHR1 Q99705 1/20 0.43
CCR1 P32246 1/20 0.41
CCR3 P51677 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
DRD4 P21917 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTR2A P28223 2/20 0.39
CCR2 P41597 1/20 0.39
HTR1A P08908 1/20 0.39
ACHE P22303 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
SCHEMBL7460453 0.91 CCR1 (0.44) DRD2DRD3MCHR1CCR1CCR3
SCHEMBL7463222 0.91 MCHR1 (0.53) KDM4EDRD2DRD3MAPTALDH1A1
SCHEMBL7466835 0.91 MCHR1 (0.45) KDM4EDRD2DRD3ALDH1A1MCHR1
SCHEMBL7470930 0.90 MCHR1 (0.42) DRD3MCHR1
SCHEMBL7455892 0.90 MCHR1 (0.43) DRD2DRD3MCHR1CCR1CCR3
SCHEMBL7458988 0.90 MCHR1 (0.48) DRD3MCHR1CCR1CCR3
SCHEMBL7460484 0.88 CACNA1G (0.43) DRD2DRD3MCHR1DRD4ACHE
SCHEMBL7459200 0.85 MCHR1 (0.45) KDM4EDRD2DRD3ALDH1A1MCHR1
SCHEMBL7468710 0.85 CACNA1G (0.43) DRD2DRD3MCHR1DRD4ACHE
SCHEMBL7465649 0.85 MCHR1 (0.46) KDM4EDRD2DRD3ALDH1A1MCHR1

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