SCHEMBL9733460

SCHEMBL9733460

O=[N+]([O-])c1ccc(CCN2CCN(Cc3ccc4nonc4c3)CC2)cc1

nearest known ligand 0.89

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 16/20 0.89
KCNH2 Q12809 15/20 0.89
HRH3 Q9Y5N1 1/20 0.56
SIGMAR1 Q99720 1/20 0.53

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
SCHEMBL10233871 0.94 KCNJ1 (1.00) KCNJ1KCNH2HRH3SIGMAR1
SCHEMBL9733429 0.85 KCNH2 (0.88) KCNJ1KCNH2HRH3SIGMAR1
SCHEMBL14904547 0.83 KCNJ1 (0.78) KCNJ1KCNH2HRH3SIGMAR1
SCHEMBL2731306 0.79 KCNJ1 (1.00) KCNJ1KCNH2HRH3SIGMAR1
Hydrochloric Acid SCHEMBL9732153 0.78 KCNJ1 (0.67) KCNJ1KCNH2HRH3
SCHEMBL9732081 0.76 KCNH2 (0.61) KCNJ1KCNH2
SCHEMBL3526680 0.74 KCNJ1 (0.87) KCNJ1KCNH2HRH3SIGMAR1
SCHEMBL5653299 0.74 HRH3 (0.93) KCNJ1KCNH2HRH3SIGMAR1
SCHEMBL3156895 0.74 HRH3 (1.00) KCNJ1KCNH2HRH3SIGMAR1
SCHEMBL9731809 0.73 KCNJ1 (0.61) KCNJ1KCNH2

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
US-5112824-A Benzofurazan compounds MERCK & CO., INC. (US) 1992-05-12 US disclosed