SCHEMBL9237409

SCHEMBL9237409

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

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.64
KCNJ1 P48048 9/20 0.59
KCNH2 Q12809 8/20 0.59
MAOA P21397 1/20 0.51
SIGMAR1 Q99720 3/20 0.50
HTR2A P28223 2/20 0.49

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
SCHEMBL9234853 0.85 HRH3 (0.68) HRH3KCNJ1KCNH2MAOASIGMAR1
SCHEMBL5151630 0.84 KCNJ1 (0.70) HRH3KCNJ1KCNH2MAOASIGMAR1
SCHEMBL9234850 0.83 HRH3 (0.59) HRH3KCNJ1KCNH2SIGMAR1
SCHEMBL9661978 0.82 HRH3 (0.68) HRH3KCNJ1KCNH2MAOASIGMAR1
SCHEMBL3156895 0.79 HRH3 (1.00) HRH3KCNJ1KCNH2MAOASIGMAR1
SCHEMBL5653299 0.79 HRH3 (0.93) HRH3KCNJ1KCNH2MAOASIGMAR1
SCHEMBL9235499 0.79 KCNJ1 (0.66) HRH3KCNJ1KCNH2MAOASIGMAR1
SCHEMBL9235807 0.78 HRH3 (0.61) HRH3KCNJ1KCNH2MAOASIGMAR1
SCHEMBL3156570 0.78 HRH3 (0.97) HRH3KCNJ1KCNH2MAOASIGMAR1
SCHEMBL914324 0.78 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0649838-A1 N-phenylalkyl/phenoxyalkyl-azetidine/pyrrozidinel piperidine/hexahydroazepine derivatives as antiarrhythmic agents MERCK PATENT GmbH (DE) 1995-04-26 EP disclosed