SCHEMBL6574086

SCHEMBL6574086

COc1ccc(CCN(CCOc2ccc([N+](=O)[O-])cc2-n2cccc2)C(C)C)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
KCNH2 Q12809 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TTR P02766 1/20 0.38

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
SCHEMBL6574500 0.88 KCNH2 (0.50) SMN1; SMN2MAPTNPC1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6576042 0.80 KCNH2 (0.56) CYP1A2CYP3A4CYP2D6ALDH1A1KCNH2
SCHEMBL6572919 0.79 KCNH2 (0.61) KCNH2KMT2AMEN1
Hydrochloric Acid SCHEMBL6572115 0.72 KCNH2 (0.57) POLBSMN1; SMN2MAPTCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6573751 0.72 BLM (0.56) SMN1; SMN2MAPTNPC1CYP1A2CYP3A4
SCHEMBL6575943 0.72 CYP1A2 (0.56) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL6572322 0.71 MAPT (0.41) SMN1; SMN2MAPTNPC1CYP1A2CYP3A4
SCHEMBL6573552 0.71 CYP1A2 (0.55) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6571843 0.71 CYP1A2 (0.55) POLBSMN1; SMN2MAPTNPC1CYP1A2
SCHEMBL6573041 0.71 CYP1A2 (0.55) SMN1; SMN2MAPTNPC1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775689-B9 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RES LABS (KR) 2004-09-15 EP disclosed
EP-0775689-B1 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RES LABS (KR) 2003-09-03 EP disclosed
US-6057358-A POTASSIUM CHANNEL BLOCKING ANTIARRHYTHMIC DRUGS WITH LESS SIDE EFFECTS C&C RESEARCH LABS. (KR) 2000-05-02 US disclosed
EP-0775689-A1 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RESEARCH LABS. (KR) 1997-05-28 EP disclosed