SCHEMBL6673075

SCHEMBL6673075

CC(CCc1ccccc1)OC(=O)c1cccnc1N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
DRD3 P35462 7/20 0.51
CACNA1F O60840 5/20 0.51
DRD5 P21918 5/20 0.51
HRH2 P25021 5/20 0.51
ADRA1D P25100 5/20 0.51
HTR2A P28223 5/20 0.51
HTR7 P34969 5/20 0.51
ADRA1A P35348 5/20 0.51
HRH1 P35367 5/20 0.51
ADRA1B P35368 5/20 0.51
OPRM1 P35372 5/20 0.51
HTR6 P50406 5/20 0.51
CACNA1D Q01668 5/20 0.51
SLC6A3 Q01959 5/20 0.51
CACNA1S Q13698 5/20 0.51
CACNA1C Q13936 5/20 0.51
OPRK1 P41145 4/20 0.51
DRD4 P21917 4/20 0.51

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
Hydrochloric Acid SCHEMBL6672087 0.99 LMNA (0.52) LMNAMAPTDRD3CACNA1FDRD5
SCHEMBL7773850 0.89 MAPT (0.67) LMNAMAPTDRD3CACNA1FDRD5
Hydrochloric Acid SCHEMBL7797695 0.88 MAPT (0.66) LMNAMAPTDRD3CACNA1FDRD5
SCHEMBL7772096 0.87 SLC6A3 (0.58) LMNAMAPTDRD3CACNA1FDRD5
SCHEMBL6673085 0.86 DRD3 (0.54) LMNAMAPTDRD3CACNA1FDRD5
SCHEMBL7773593 0.85 DRD3 (0.51) LMNAMAPTDRD3CACNA1FDRD5
Hydrochloric Acid SCHEMBL6672090 0.85 DRD3 (0.54) LMNAMAPTDRD3CACNA1FDRD5
SCHEMBL7767918 0.85 LMNA (0.53) LMNAMAPTDRD3CACNA1FDRD5
Hydrochloric Acid SCHEMBL7796036 0.84 LMNA (0.52) LMNAMAPTDRD3CACNA1FDRD5
Hydrochloric Acid SCHEMBL7920769 0.84 LMNA (0.52) LMNAMAPTDRD3CACNA1FDRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1120410-B1 Nicotinic acid esters useful as CNS agents and having affinity for 5-HT receptors BIOVITRUM AB (SE) 2004-10-06 EP claimed
US-5658910-A TREATING MENTAL DISORDERS PHARMACIA AB (SE) 1997-08-19 US claimed
EP-1120410-B1 Nicotinic acid esters useful as CNS agents and having affinity for 5-HT receptors BIOVITRUM AB (SE) 2004-10-06 EP disclosed
EP-1120410-A1 Nicotinic acid esters useful as CNS agents and having affinity for 5-HT receptors Pharmacia AB (SE) 2001-08-01 EP disclosed
US-5658910-A TREATING MENTAL DISORDERS PHARMACIA AB (SE) 1997-08-19 US disclosed