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Sugi Predict / Compounds / SCHEMBL14396178

SCHEMBL14396178

SCHEMBL14396178

Cc1cn(CCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3F)C2)c(=O)[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 11/20 0.50
▸ DRD2 P14416 10/20 0.50
▸ KCNH2 Q12809 9/20 0.50
▸ DRD4 P21917 1/20 0.50
▸ ADRA1D P25100 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ ADRA1B P35368 1/20 0.43
▸ TK2 O00142 5/20 0.39
▸ TK1 P04183 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
SCHEMBL3563055 0.90 DRD3 (0.46) DRD3DRD2KCNH2DRD4ADRA1D
SCHEMBL14396175 0.87 DRD3 (0.49) DRD3DRD2KCNH2ADRA1DADRA1A
SCHEMBL3564364 0.87 DRD3 (0.49) DRD3DRD2KCNH2ADRA1DADRA1A
Hydrochloric Acid SCHEMBL3563615 0.86 DRD3 (0.49) DRD3DRD2KCNH2ADRA1DADRA1A
SCHEMBL3566910 0.85 DRD3 (0.49) DRD3DRD2KCNH2ADRA1DADRA1A
SCHEMBL3563967 0.85 DRD3 (0.49) DRD3DRD2KCNH2ADRA1DADRA1A
Hydrochloric Acid SCHEMBL3567130 0.85 DRD3 (0.49) DRD3DRD2KCNH2ADRA1DADRA1A
SCHEMBL13349019 0.84 DRD2 (0.49) DRD3DRD2KCNH2ADRA1DADRA1A
SCHEMBL3564326 0.84 DRD2 (0.49) DRD3DRD2KCNH2ADRA1DADRA1A
SCHEMBL13314297 0.84 DRD2 (0.49) DRD3DRD2KCNH2ADRA1DADRA1A

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-2007113232-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-10-11 — — WO disclosed