SCHEMBL7460484

SCHEMBL7460484

COc1ccccc1C1CCN(CCCC(CNC(=O)CNC(=O)c2cc3cc(Cl)ccc3[nH]2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.43
KCNH2 Q12809 1/20 0.43
MCHR1 Q99705 1/20 0.43
DRD3 P35462 7/20 0.42
DRD4 P21917 6/20 0.42
DRD2 P14416 5/20 0.42
TAOK1 Q7L7X3 1/20 0.41
TAOK3 Q9H2K8 1/20 0.41
PYGL P06737 6/20 0.41
DRD1 P21728 1/20 0.41
ACHE P22303 1/20 0.40
BACE1 P56817 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
SCHEMBL7468710 0.95 CACNA1G (0.43) CACNA1GKCNH2MCHR1DRD3DRD4
SCHEMBL7463847 0.93 DRD3 (0.48) CACNA1GKCNH2MCHR1DRD3DRD4
SCHEMBL7455892 0.92 MCHR1 (0.43) MCHR1DRD3DRD2PYGL
SCHEMBL7461458 0.89 MCHR1 (0.53) MCHR1DRD3DRD2PYGL
SCHEMBL7470930 0.88 MCHR1 (0.42) MCHR1DRD3PYGL
SCHEMBL7460453 0.88 CCR1 (0.44) MCHR1DRD3DRD2PYGL
SCHEMBL7458988 0.88 MCHR1 (0.48) MCHR1DRD3PYGL
SCHEMBL7466978 0.88 KDM4E (0.46) MCHR1DRD3DRD4DRD2ACHE
SCHEMBL7465486 0.87 DRD4 (0.48) CACNA1GKCNH2MCHR1DRD3DRD4
SCHEMBL7467819 0.85 MCHR1 (0.53) MCHR1DRD3DRD2PYGL

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