SCHEMBL6345241

SCHEMBL6345241

CCCN(CC1CCN(S(C)(=O)=O)CC1)[C@@H]1CCc2ccc(OC)cc2C1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.67
DRD3 P35462 13/20 0.67
DRD4 P21917 6/20 0.67
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTR1A P08908 1/20 0.47
ADRB2 P07550 1/20 0.47
CYP2D6 P10635 1/20 0.47
CASP1 P29466 1/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL6335392 1.00 DRD2 (0.67) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL6344103 0.96 DRD3 (0.67) DRD2DRD3DRD4
SCHEMBL6342758 0.91 DRD2 (0.56) DRD2DRD3DRD4LMNA
SCHEMBL6336491 0.91 DRD3 (0.54) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL6334439 0.89 DRD2 (0.62) DRD2DRD3DRD4HTR1A
SCHEMBL6334412 0.88 ALDH1A1 (0.51) DRD2DRD3DRD4CYP2D6
SCHEMBL6343679 0.88 DRD2 (0.56) DRD2DRD3DRD4LMNA
SCHEMBL9558523 0.88 DRD2 (0.83) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL3390085 0.87 DRD3 (0.53) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL6334883 0.87 DRD3 (0.48) 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
US-6864266-B2 4-piperidinyl alkyl amine derivatives as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC (US) 2005-03-08 US claimed