SCHEMBL6573083

SCHEMBL6573083

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

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.76
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
BLM P54132 2/20 0.58
PMP22 Q01453 1/20 0.58
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
CDC25C P30307 2/20 0.53
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.50
THRB P10828 1/20 0.50
APEX1 P27695 1/20 0.50
RECQL P46063 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL8789624 0.94 KCNH2 (0.71) KCNH2CYP1A2CYP3A4CYP2D6BLM
SCHEMBL9053130 0.90 KCNH2 (0.67) KCNH2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL6575943 0.87 CYP1A2 (0.56) KCNH2CYP1A2CYP3A4CYP2D6BLM
SCHEMBL3929250 0.87 KCNH2 (1.00) KCNH2CDC25C
SCHEMBL6573041 0.86 CYP1A2 (0.55) KCNH2CYP1A2CYP3A4CYP2D6BLM
SCHEMBL6571843 0.86 CYP1A2 (0.55) KCNH2CYP1A2CYP3A4CYP2D6BLM
Hydrochloric Acid SCHEMBL6571816 0.86 BLM (0.57) KCNH2CYP1A2CYP3A4CYP2D6BLM
Hydrochloric Acid SCHEMBL6573281 0.86 BLM (0.57) KCNH2CYP1A2CYP3A4CYP2D6BLM
SCHEMBL6574454 0.86 MAPT (0.60) KCNH2CYP1A2CYP3A4CYP2D6BLM
Hydrochloric Acid SCHEMBL6573751 0.85 BLM (0.56) KCNH2CYP1A2CYP3A4CYP2D6BLM

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 5 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
WO-1996000715-A1 NEW [2-(3,4-DIMETHOXY-PHENYL)-ETHYL]-(2-PHENOXY-ETHYL)-AMINES, A PROCESS FOR PREPARING THE SAME AND THEIR USE AS MEDICAMENTS ARZNEIMITTELWERK DRESDEN GMGH (DE) 1996-01-11 WO disclosed