SCHEMBL542238

SCHEMBL542238

CCN(CC)CCc1ccccc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 4/20 0.51
SCN2A Q99250 4/20 0.51
SCN3A Q9NY46 4/20 0.51
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
HTR1A P08908 3/20 0.44
HTR6 P50406 1/20 0.43
METAP2 P50579 1/20 0.42
LMNA P02545 3/20 0.41
CDYL Q9Y232 1/20 0.41
TSHR P16473 2/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MEN1 O00255 1/20 0.39
NR1I2 O75469 1/20 0.39
CHRM2 P08172 1/20 0.39

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
SCHEMBL7214875 0.86 HTR1A (0.47) SCN1ASCN2ASCN3AHTR1ALMNA
SCHEMBL28203264 0.86 KDM4E (0.43) SCN1ASCN2ASCN3AKDM4EALDH1A1
SCHEMBL2398894 0.85 FOLH1 (0.56) SCN1ASCN2ASCN3AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL11581395 0.83 SCN1A (0.55) SCN1ASCN2ASCN3AKDM4EALDH1A1
SCHEMBL2486332 0.83 TAAR1 (0.50) KDM4EALDH1A1HPGDHTR1AHTR6
Hydrochloric Acid SCHEMBL29811165 0.81 TAAR1 (0.49) KDM4EALDH1A1HPGDHTR1AHTR6
SCHEMBL8947503 0.81 SCN1A (0.52) SCN1ASCN2ASCN3AKDM4EALDH1A1
SCHEMBL10621476 0.81 L3MBTL1 (0.46) SCN1ASCN2ASCN3AKDM4EALDH1A1
SCHEMBL334956 0.80 KMT2A (0.47) KDM4EALDH1A1HPGDMETAP2LMNA
SCHEMBL4735612 0.80 ALDH1A1 (0.54) KDM4EALDH1A1HPGDMETAP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020034912-A1 METHODS AND COMBINATIONS FOR MODULATING TOLERANCE TO OPIATES, OPIOIDS OR OPIOID ANALGESICS AND TREATING ACUTE AND CHRONIC PAIN HSIEH CHIA HUNG (CN) 2020-02-20 WO disclosed
EP-2696878-A1 DOSAGE REGIMEN FOR SAPACITABINE AND DECITABINE IN COMBINATION FOR TREATING ACUTE MYELOID LEUKEMIA Cyclacel Limited (GB) 2014-02-19 EP disclosed
EP-1562640-B1 METHODS FOR PURIFYING RADIOLABELLED COMPOUNDS UNIV MCMASTER (CA) 2012-12-05 EP disclosed
WO-2012140436-A1 DOSAGE REGIMEN FOR SAPACITABINE AND DECITABINE IN COMBINATION FOR TREATING ACUTE MYELOID LEUKEMIA CYCLACEL LIMITED (GB) 2012-10-18 WO disclosed
EP-2414543-A1 GENETIC MARKERS FOR RISK MANAGEMENT OF ATRIAL FIBRILLATION AND STROKE Decode Genetics EHF (IS) 2012-02-08 EP disclosed
EP-2365809-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD Pharmaceuticals, Inc (US) 2011-09-21 EP disclosed
EP-2307002-A1 COMBINATIONS OF SAPACITABINE OR CNDAC WITH DNA METHYLTRANSFERASE INHIBITORS SUCH AS DECITABINE AND PROCAINE Cyclacel Limited (GB) 2011-04-13 EP disclosed
WO-2010056311-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
WO-2009150405-A1 COMBINATION OF SPACITABINE (CNDAC) AND DNA METHYLTRANSFERASE INHIBITORS SUCH AS DECITABINE AND PROCAINE CYCLACEL LIMITED (GB) 2009-12-17 WO disclosed