SCHEMBL7701469

SCHEMBL7701469

CCNc1ccc(CCN(C)C(C)COc2c(C)cccc2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 10/20 0.40
CYP2D6 P10635 3/20 0.40
LMNA P02545 2/20 0.40
SCN1A P35498 2/20 0.40
SCN5A Q14524 2/20 0.40
SCN9A Q15858 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
NFKB1 P19838 2/20 0.40
KCNH2 Q12809 2/20 0.40
MAOA P21397 2/20 0.40
TSHR P16473 2/20 0.40
CYP2C9 P11712 1/20 0.40
KCNK3 O14649 1/20 0.40
CACNA1F O60840 1/20 0.40
KCNK2 O95069 1/20 0.40
GBA1 P04062 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL7697063 0.84 HRH3 (0.43) LMNACYP1A2CYP3A4CYP2C9SCN8A
SCHEMBL7699375 0.83 KCNH2 (0.49) CYP2D6LMNACYP1A2CYP3A4KCNH2
SCHEMBL7697481 0.83 KCNH2 (0.49) CYP2D6LMNACYP1A2CYP3A4KCNH2
SCHEMBL7697484 0.83 KCNH2 (0.49) CYP2D6LMNACYP1A2CYP3A4KCNH2
SCHEMBL7696141 0.83 SCN8A (0.52) SCN4ACYP2D6LMNASCN1ASCN5A
SCHEMBL7695487 0.83 SCN4A (0.48) SCN4ACYP2D6LMNASCN1ASCN5A
SCHEMBL7695490 0.83 SCN4A (0.48) SCN4ACYP2D6LMNASCN1ASCN5A
SCHEMBL7697606 0.83 SCN4A (0.48) SCN4ACYP2D6LMNASCN1ASCN5A
SCHEMBL7699370 0.82 ALDH1A1 (0.41) SCN4ACYP2D6LMNASCN1ASCN5A
Hydrochloric Acid SCHEMBL7696256 0.82 KCNH2 (0.48) CYP2D6LMNASCN1ASCN5ASCN9A

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 2 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