SCHEMBL7697606

SCHEMBL7697606

Cc1cccc(C)c1OC[C@H](C)N(C)CCc1ccc(N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 10/20 0.48
LMNA P02545 2/20 0.48
SCN1A P35498 2/20 0.48
SCN5A Q14524 2/20 0.48
SCN9A Q15858 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
NFKB1 P19838 2/20 0.48
TSHR P16473 2/20 0.48
KCNH2 Q12809 2/20 0.48
CYP2C9 P11712 1/20 0.48
KCNK3 O14649 1/20 0.48
CACNA1F O60840 1/20 0.48
KCNK2 O95069 1/20 0.48
GBA1 P04062 1/20 0.48
MAOA P21397 1/20 0.48
HTR2A P28223 1/20 0.48
SLC6A4 P31645 1/20 0.48
HTR2B P41595 1/20 0.48

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
SCHEMBL7695487 1.00 SCN4A (0.48) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL7695490 1.00 SCN4A (0.48) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL7700695 0.86 SIGMAR1 (0.44) SCN4ALMNACYP1A2MAOASIGMAR1
SCHEMBL7701469 0.83 SCN4A (0.40) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL7701167 0.82 KCNH2 (0.47) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL7698428 0.82 KCNH2 (0.47) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL7698432 0.82 KCNH2 (0.47) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL7699370 0.81 ALDH1A1 (0.41) SCN4ALMNASCN1ASCN5ASCN9A
Hydrochloric Acid SCHEMBL7701713 0.81 KCNH2 (0.46) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL7699375 0.80 KCNH2 (0.49) LMNACYP1A2CYP3A4CYP2D6KCNH2

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-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