SCHEMBL7463222

SCHEMBL7463222

COc1ccc2[nH]c(C(=O)NCC(=O)NCC(CCCN3CCC(c4ccccc4)CC3)(c3ccc(Cl)cc3)c3ccc(Cl)cc3)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.53
KDM4E B2RXH2 6/20 0.48
DRD2 P14416 5/20 0.46
DRD3 P35462 5/20 0.46
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
CCR1 P32246 2/20 0.45
CCR3 P51677 2/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ACHE P22303 1/20 0.42
DRD4 P21917 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HTR2A P28223 2/20 0.41
HTR1A P08908 1/20 0.41

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
SCHEMBL7460142 0.92 MCHR1 (0.56) MCHR1DRD3CCR1
SCHEMBL7466978 0.91 KDM4E (0.46) MCHR1KDM4EDRD2DRD3MAPT
SCHEMBL7465415 0.90 MCHR1 (0.56) MCHR1DRD2DRD3CCR1CCR3
SCHEMBL7460423 0.90 MCHR1 (0.56) MCHR1KDM4EDRD2DRD3ALDH1A1
SCHEMBL7462536 0.90 MCHR1 (0.58) MCHR1DRD3CCR1
SCHEMBL7465013 0.90 MCHR1 (0.53) MCHR1DRD3
SCHEMBL7467819 0.90 MCHR1 (0.53) MCHR1DRD2DRD3CCR1CCR3
SCHEMBL7461458 0.88 MCHR1 (0.53) MCHR1DRD2DRD3CCR1CCR3
SCHEMBL7462229 0.85 MCHR1 (0.62) MCHR1KDM4EDRD2DRD3ALDH1A1
SCHEMBL7470101 0.84 MCHR1 (0.56) MCHR1KDM4EDRD2DRD3ALDH1A1

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