SCHEMBL6808015

SCHEMBL6808015

CCCN(C1CCN(C(=O)N2CCN(C)CC2)CC1)[C@@H]1CCc2ccc(OC)cc2C1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.57
DRD3 P35462 13/20 0.57
DRD4 P21917 4/20 0.57
MCHR1 Q99705 2/20 0.46
MTNR1B P49286 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ACHE P22303 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
SCHEMBL5217360 1.00 DRD2 (0.57) DRD2DRD3DRD4MCHR1MTNR1B
SCHEMBL5217173 0.91 DRD2 (0.55) DRD2DRD3DRD4CA1CA2
SCHEMBL5216341 0.91 DRD2 (0.55) DRD2DRD3DRD4MCHR1MTNR1B
SCHEMBL6807512 0.91 DRD2 (0.55) DRD2DRD3DRD4MCHR1MTNR1B
SCHEMBL6796054 0.91 DRD2 (0.55) DRD2DRD3DRD4CA1CA2
SCHEMBL6803803 0.89 DRD2 (0.60) DRD2DRD3DRD4MTNR1BCA1
SCHEMBL5220825 0.89 DRD2 (0.60) DRD2DRD3DRD4MTNR1BCA1
SCHEMBL5217956 0.89 DRD2 (0.60) DRD2DRD3DRD4MTNR1BCA1
SCHEMBL5218421 0.89 DRD2 (0.55) DRD2DRD3DRD4MCHR1MTNR1B
SCHEMBL5218886 0.88 DRD2 (0.53) DRD2DRD3DRD4MCHR1MTNR1B

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-6806278-B2 SUCH AS (4-((6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPYL-AMINO) -PIPERIDIN-1-YL)(4-METHYL-PIPERAZIN-1-YL)-METHANONE; SMOOTH MUSCLE AND RESPIRATORY DISORDERS SYNTEX (U.S.A.) LLC 2004-10-19 US claimed