SCHEMBL5804053

SCHEMBL5804053

CCCN(C[C@H]1C2CN(C(=O)N3CCOCC3)C[C@@H]21)C1CCc2ccc(OC)cc2C1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.57
DRD3 P35462 14/20 0.57
DRD4 P21917 6/20 0.57
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTR1A P08908 1/20 0.42
ADRB2 P07550 1/20 0.42
CYP2D6 P10635 1/20 0.42
CASP1 P29466 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL5804054 1.00 DRD2 (0.57) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL6337111 0.89 DRD2 (0.60) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL6336517 0.89 DRD2 (0.60) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL5804077 0.87 HTR1A (0.52) DRD2DRD3DRD4HTR1A
SCHEMBL6346693 0.85 DRD3 (0.60) DRD2DRD3DRD4
SCHEMBL6796054 0.83 DRD2 (0.55) DRD2DRD3DRD4
SCHEMBL5217173 0.83 DRD2 (0.55) DRD2DRD3DRD4
SCHEMBL6344244 0.81 DRD2 (0.64) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL6596458 0.79 DRD2 (0.54) DRD2DRD3DRD4
SCHEMBL3387809 0.78 DRD2 (0.46) DRD2DRD3DRD4MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006016245-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-02-16 WO disclosed