SCHEMBL8025394

SCHEMBL8025394

CCCC(C)COc1nsnc1C1=CCCN(C)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 13/20 0.71
CHRM4 P08173 5/20 0.68
CHRM2 P08172 2/20 0.67
CHRM5 P08912 2/20 0.67
CHRM3 P20309 2/20 0.67
HTR1A P08908 1/20 0.67
ADRA2A P08913 1/20 0.67
MAOA P21397 1/20 0.67
DRD1 P21728 1/20 0.67
ACHE P22303 1/20 0.67
SLC6A2 P23975 1/20 0.67
PDE4A P27815 1/20 0.67
SLC6A4 P31645 1/20 0.67
ADRA1A P35348 1/20 0.67
DRD3 P35462 1/20 0.67
HTR2B P41595 1/20 0.67
SLC6A3 Q01959 1/20 0.67
KCNH2 Q12809 1/20 0.67
CACNA1C Q13936 1/20 0.67
SCN5A Q14524 1/20 0.67

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
SCHEMBL8025395 0.91 CHRM1 (0.73) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL6912866 0.87 CHRM4 (0.76) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL6914682 0.85 CHRM1 (0.72) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL6915782 0.84 CHRM4 (0.76) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL6912310 0.83 CHRM1 (0.75) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL6915951 0.83 CHRM1 (1.00) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL6913185 0.83 CHRM1 (1.00) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL6914990 0.82 CHRM4 (0.81) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL6915144 0.82 CHRM1 (0.75) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL6906658 0.82 CHRM1 (1.00) CHRM1CHRM4CHRM2CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0866702-A1 METHOD FOR TREATING PAIN ELI LILLY AND COMPANY (US) 1998-09-30 EP claimed
WO-1997020556-A9 METHOD FOR TREATING PAIN 1997-10-02 WO claimed
WO-1997020556-A1 METHOD FOR TREATING PAIN ELI LILLY AND COMPANY (US) 1997-06-12 WO claimed
WO-1996013168-A1 METHOD FOR TREATING ANXIETY ELI LILLY AND COMPANY (US) 1996-05-09 WO claimed
EP-0709095-A2 Method for treating anxiety using a tetrahydropyridine or azabicyclic oxadiazole or thiadiazole compound ELI LILLY AND COMPANY (US) 1996-05-01 EP claimed
EP-0709094-B1 Tetrahydropyridine oxadiazole or thiadiazole compound for treating anxiety LILLY CO ELI (US) 2000-04-05 EP disclosed
EP-0709095-B1 Method for treating anxiety using a tetrahydropyridine or azabicyclic oxadiazole or thiadiazole compound LILLY CO ELI (US) 1999-01-20 EP disclosed
EP-0866702-A1 METHOD FOR TREATING PAIN ELI LILLY AND COMPANY (US) 1998-09-30 EP disclosed
US-5708014-A SUBSTITUTED TETRAHYDROPYRIDINYL-1,2,5-OXADIAZOLES OR THIADIAZOLES ELI LILLY AND COMPANY (US) 1998-01-13 US disclosed
WO-1997020556-A9 METHOD FOR TREATING PAIN 1997-10-02 WO disclosed
WO-1997020556-A1 METHOD FOR TREATING PAIN ELI LILLY AND COMPANY (US) 1997-06-12 WO disclosed
WO-1996013167-A1 METHOD FOR TREATING ANXIETY ELI LILLY AND COMPANY (US) 1996-05-09 WO disclosed
EP-0709094-A2 Method for treating anxiety using a tetrahydropyridine oxadiazole or thiadiazole compound ELI LILLY AND COMPANY (US) 1996-05-01 EP disclosed
EP-0709095-A2 Method for treating anxiety using a tetrahydropyridine or azabicyclic oxadiazole or thiadiazole compound ELI LILLY AND COMPANY (US) 1996-05-01 EP disclosed
US-5488056-A 1,2,5-THIADIAZOLE COMPOUNDS ELI LILLY AND COMPANY (US) 1996-01-30 US disclosed