SCHEMBL6345233

SCHEMBL6345233

CCCN(C(C1CCNCC1)S(C)(=O)=O)[C@@H]1CCc2ccc(OC)cc2C1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.57
DRD3 P35462 15/20 0.57
DRD4 P21917 6/20 0.57
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 1/20 0.41
HTR1A P08908 1/20 0.39
MEN1 O00255 1/20 0.39
ADRB2 P07550 1/20 0.39
CYP2D6 P10635 1/20 0.39
CASP1 P29466 1/20 0.39
KMT2A Q03164 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
SCHEMBL6335385 1.00 DRD2 (0.57) DRD2DRD3DRD4CA1CA2
SCHEMBL6344096 0.96 DRD3 (0.57) DRD2DRD3DRD4CA1CA2
SCHEMBL6336496 0.91 DRD3 (0.46) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL6334415 0.88 ALDH1A1 (0.44) DRD2DRD3DRD4CYP2D6
SCHEMBL6334431 0.88 DRD2 (0.53) DRD2DRD3DRD4CA1CA2
SCHEMBL6619115 0.88 DRD2 (0.48) DRD2DRD3DRD4
SCHEMBL6346804 0.88 DRD3 (0.56) DRD2DRD3DRD4CA1CA2
SCHEMBL6337081 0.87 DRD3 (0.40) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL3390091 0.87 DRD3 (0.42) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL6345257 0.86 DRD3 (0.41) DRD2DRD3DRD4HTR1AMEN1

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
US-6864266-B2 4-piperidinyl alkyl amine derivatives as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC (US) 2005-03-08 US claimed