SCHEMBL7466835

SCHEMBL7466835

O=C(CNC(=O)c1cc2ccccc2[nH]1)NCC(CCCN1CCC(c2ccccc2F)CC1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.45
DRD3 P35462 7/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
DRD2 P14416 5/20 0.42
HTR2A P28223 4/20 0.42
HTR1A P08908 3/20 0.42
HTR2C P28335 3/20 0.42
CCR1 P32246 3/20 0.41
DRD4 P21917 2/20 0.41
CCR3 P51677 2/20 0.41
PLD2 O14939 1/20 0.40
ALDH1A1 P00352 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
SLC2A1 P11166 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
SCHEMBL7465649 0.94 MCHR1 (0.46) MCHR1DRD3SLC6A2SLC6A4KDM4E
SCHEMBL7459832 0.94 MCHR1 (0.51) MCHR1DRD3SLC6A2SLC6A4KDM4E
SCHEMBL7460453 0.94 CCR1 (0.44) MCHR1DRD3DRD2HTR1AHTR2C
SCHEMBL7459200 0.93 MCHR1 (0.45) MCHR1DRD3SLC6A2SLC6A4KDM4E
SCHEMBL7455892 0.92 MCHR1 (0.43) MCHR1DRD3DRD2HTR1AHTR2C
SCHEMBL7458988 0.92 MCHR1 (0.48) MCHR1DRD3CCR1CCR3
SCHEMBL7470930 0.91 MCHR1 (0.42) MCHR1DRD3
SCHEMBL7466978 0.91 KDM4E (0.46) MCHR1DRD3KDM4EDRD2HTR2A
SCHEMBL7460423 0.90 MCHR1 (0.56) MCHR1DRD3SLC6A2SLC6A4KDM4E
SCHEMBL7463847 0.86 DRD3 (0.48) MCHR1DRD3SLC6A2SLC6A4KDM4E

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