SCHEMBL7696141

SCHEMBL7696141

CC(=O)Nc1ccc(CCN(C)C(C)COc2c(C)cccc2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.52
HRH3 Q9Y5N1 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
SCN4A P35499 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
TSHR P16473 2/20 0.38
SCN1A P35498 2/20 0.38
SCN5A Q14524 2/20 0.38
SCN9A Q15858 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 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
Hydrochloric Acid SCHEMBL7705385 0.98 SCN8A (0.50) SCN8AHRH3MEN1KMT2AADRB2
SCHEMBL7697063 0.87 HRH3 (0.43) SCN8AHRH3MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL7695266 0.86 ADRB1 (0.46) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL7699370 0.86 ALDH1A1 (0.41) SCN8AADRB2ADRB1ADRB3LMNA
Hydrochloric Acid SCHEMBL7701313 0.84 ALDH1A1 (0.40) SCN8AADRB2ADRB1ADRB3LMNA
SCHEMBL7701469 0.83 SCN4A (0.40) SCN8ALMNAKDM4ESCN4ACYP1A2
SCHEMBL7697484 0.82 KCNH2 (0.49) ADRB2ADRB1ADRB3LMNAKDM4E
SCHEMBL7699375 0.82 KCNH2 (0.49) ADRB2ADRB1ADRB3LMNAKDM4E
SCHEMBL7697481 0.82 KCNH2 (0.49) ADRB2ADRB1ADRB3LMNAKDM4E
Hydrochloric Acid SCHEMBL7696254 0.81 KCNH2 (0.48) ADRB2ADRB1ADRB3LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037871-B1 NOVEL ANTIARRHYTHMIC COMPOUNDS GYOGYSZERKUTATO INTEZET (HU) 2002-07-03 EP claimed
US-6265445-B1 CARDIOVASCULAR DISORDERS GYOGYSZERKUTATO INTEZET KFT (HU) 2001-07-24 US claimed
EP-1037871-A1 NOVEL ANTIARRHYTHMIC COMPOUNDS GYOGYSZERKUTATO INTEZET KFT. (HU) 2000-09-27 EP claimed
WO-1999029655-A1 NOVEL ANTIARRHYTHMIC COMPOUNDS Gyógyszerkutató Intézet Kft. (HU) 1999-06-17 WO claimed
EP-1037871-B1 NOVEL ANTIARRHYTHMIC COMPOUNDS GYOGYSZERKUTATO INTEZET (HU) 2002-07-03 EP disclosed
US-6265445-B1 CARDIOVASCULAR DISORDERS GYOGYSZERKUTATO INTEZET KFT (HU) 2001-07-24 US disclosed
EP-1037871-A1 NOVEL ANTIARRHYTHMIC COMPOUNDS GYOGYSZERKUTATO INTEZET KFT. (HU) 2000-09-27 EP disclosed
WO-1999029655-A1 NOVEL ANTIARRHYTHMIC COMPOUNDS Gyógyszerkutató Intézet Kft. (HU) 1999-06-17 WO disclosed