SCHEMBL9661978

SCHEMBL9661978

O=[N+]([O-])c1ccc(CCN2CCCC(c3ccc([N+](=O)[O-])cc3)C2)cc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.68
KCNJ1 P48048 11/20 0.62
KCNH2 Q12809 10/20 0.62
MAOA P21397 1/20 0.53
SIGMAR1 Q99720 3/20 0.52

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
SCHEMBL1546206 0.85 DRD4 (0.63) SIGMAR1
SCHEMBL1546203 0.85 DRD4 (0.63) SIGMAR1
SCHEMBL9234853 0.84 HRH3 (0.68) HRH3KCNJ1KCNH2MAOASIGMAR1
SCHEMBL9237409 0.82 HRH3 (0.64) HRH3KCNJ1KCNH2MAOASIGMAR1
SCHEMBL3156895 0.81 HRH3 (1.00) HRH3KCNJ1KCNH2MAOASIGMAR1
SCHEMBL5653299 0.81 HRH3 (0.93) HRH3KCNJ1KCNH2MAOASIGMAR1
SCHEMBL9660648 0.81 LTA4H (0.65) HRH3KCNH2SIGMAR1
SCHEMBL20909098 0.81 BCHE (0.59) SIGMAR1
SCHEMBL9235807 0.80 HRH3 (0.61) HRH3KCNJ1KCNH2MAOASIGMAR1
SCHEMBL3156570 0.80 HRH3 (0.97) HRH3KCNJ1KCNH2MAOASIGMAR1

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