SCHEMBL9660692

SCHEMBL9660692

Nc1ccc(OCCN2CCCC(c3ccc(N)cc3)C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.61
PTGS1 P23219 1/20 0.61
PTGS2 P35354 1/20 0.61
HRH3 Q9Y5N1 7/20 0.57
KCNH2 Q12809 3/20 0.57
KDM4E B2RXH2 2/20 0.53
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
DRD2 P14416 2/20 0.47
DRD1 P21728 2/20 0.47
DRD4 P21917 2/20 0.47
DRD5 P21918 2/20 0.47
DRD3 P35462 2/20 0.47

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
SCHEMBL12156544 0.83 LTA4H (0.61) LTA4HPTGS1PTGS2HRH3KCNH2
SCHEMBL16181823 0.82 HRH3 (0.63) LTA4HHRH3KCNH2KDM4ECYP3A4
SCHEMBL9660648 0.81 LTA4H (0.65) LTA4HPTGS1PTGS2HRH3KCNH2
SCHEMBL56495 0.80 LTA4H (0.90) LTA4HPTGS1PTGS2HRH3KCNH2
SCHEMBL1547055 0.80 DRD4 (0.72) DRD2DRD1DRD4DRD5DRD3
SCHEMBL1546881 0.80 DRD4 (0.72) DRD2DRD1DRD4DRD5DRD3
SCHEMBL23724061 0.79 LTA4H (0.87) LTA4HPTGS1PTGS2HRH3KCNH2
SCHEMBL3937460 0.79 LTA4H (0.87) LTA4HPTGS1PTGS2HRH3KCNH2
Hydrochloric Acid SCHEMBL15254264 0.79 LTA4H (0.87) LTA4HPTGS1PTGS2HRH3KCNH2
SCHEMBL9660685 0.78 DRD2 (0.50) DRD2DRD1DRD4DRD5DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0307121-B1 SULPHONAMIDE ANTIARRHYTHMIC AGENTS Pfizer Limited (GB) 1992-03-18 EP disclosed
EP-0307121-A1 Sulphonamide antiarrhythmic agents Pfizer Limited (GB) 1989-03-15 EP disclosed