SCHEMBL7613798

SCHEMBL7613798

Cc1ccc(CCCOc2nsnc2C2=CCCN(C)C2)cc1C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 17/20 0.70
CHRM4 P08173 6/20 0.69
CHRM2 P08172 3/20 0.69
CHRM5 P08912 3/20 0.69
CHRM3 P20309 3/20 0.69
HTR1A P08908 1/20 0.64
ADRA2A P08913 1/20 0.64
MAOA P21397 1/20 0.64
DRD1 P21728 1/20 0.64
ACHE P22303 1/20 0.64
SLC6A2 P23975 1/20 0.64
PDE4A P27815 1/20 0.64
SLC6A4 P31645 1/20 0.64
ADRA1A P35348 1/20 0.64
DRD3 P35462 1/20 0.64
HTR2B P41595 1/20 0.64
SLC6A3 Q01959 1/20 0.64
KCNH2 Q12809 1/20 0.64
CACNA1C Q13936 1/20 0.64
SCN5A Q14524 1/20 0.64

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
Oxalic Acid SCHEMBL7613640 0.94 CHRM1 (0.66) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL6912860 0.89 CHRM1 (0.77) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL6907871 0.87 CHRM1 (0.68) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL6915118 0.87 CHRM1 (0.74) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL6907739 0.85 CHRM1 (0.76) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL6914127 0.85 CHRM1 (0.76) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL6906714 0.85 CHRM1 (0.94) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL6911709 0.85 CHRM1 (0.67) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL6912546 0.84 CHRM1 (0.74) CHRM1CHRM4CHRM2CHRM5CHRM3
Oxalic Acid SCHEMBL7618898 0.83 CHRM1 (0.72) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0734259-B1 Use of piperidine compounds in the treatment of schizophrenia NOVO NORDISK AS (DK) 2002-06-12 EP claimed
US-5753683-A SCHIZOPHRENIA NOVO NORDISK A/S (DK) 1998-05-19 US claimed
US-5744489-A ADMINISTERING CERTAIN 1,2,5-THIADIAZOLE AND 1,2,5-OXADIAZOLE COMPOUNDS GREENWOOD BEVERLEY (US) 1998-04-28 US claimed
EP-0788357-A1 A METHOD OF TREATING URINARY BLADDER DYSFUNCTIONS NOVO NORDISK A/S (DK) 1997-08-13 EP claimed
EP-0734259-A1 ANTIPSYCHOTIC METHOD NOVO NORDISK A/S (DK) 1996-10-02 EP claimed
WO-1996014066-A1 A METHOD OF TREATING URINARY BLADDER DYSFUNCTIONS NOVO NORDISK A/S (DK) 1996-05-17 WO claimed
EP-0687265-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1995-12-20 EP claimed
WO-1995005174-A1 ANTIPSYCHOTIC METHOD NOVO NORDISK A/S (DK) 1995-02-23 WO claimed
WO-1994020495-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-09-15 WO claimed
EP-0709094-B1 Tetrahydropyridine oxadiazole or thiadiazole compound for treating anxiety LILLY CO ELI (US) 2000-04-05 EP disclosed
US-5708014-A SUBSTITUTED TETRAHYDROPYRIDINYL-1,2,5-OXADIAZOLES OR THIADIAZOLES ELI LILLY AND COMPANY (US) 1998-01-13 US 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