SCHEMBL5606196

SCHEMBL5606196

CN1CCCN(c2ccccc2C=C2CN(c3ccc(Cl)c(Cl)c3)CCS2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.38
SLC6A4 P31645 8/20 0.38
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
PTK2B Q14289 1/20 0.37
NCF1 P14598 1/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
BCL2 P10415 1/20 0.36
ALOX12 P18054 1/20 0.36
BID P55957 1/20 0.36
RAD51 Q06609 1/20 0.36
BCL2L1 Q07817 1/20 0.36
BCL2A1 Q16548 1/20 0.36
BCL2L2 Q92843 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL8558213 0.96 MAPT (0.40) SLC6A2SLC6A4MAPTHTTKDM4E
SCHEMBL6254049 0.84 LMNA (0.39) SLC6A2SLC6A4MAPTHTTALDH1A1
SCHEMBL5598374 0.83 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3HIF1ACYP2D6
SCHEMBL22411187 0.83 SIGMAR1 (0.39) SLC6A2SLC6A4DRD2DRD3SLC6A3
SCHEMBL5160797 0.80 SLC6A2 (0.47) SLC6A2SLC6A4MAPTALDH1A1LMNA
SCHEMBL5160805 0.80 SLC6A2 (0.47) SLC6A2SLC6A4MAPTALDH1A1LMNA
SCHEMBL6252738 0.78 MAPT (0.40) SLC6A2SLC6A4MAPTHTTKDM4E
Hydrochloric Acid SCHEMBL27536771 0.78 DRD2 (0.41) MEN1KMT2ADRD2DRD3CYP2D6
SCHEMBL5160139 0.78 MEN1 (0.38) SLC6A2SLC6A4MAPTHTTKDM4E
Elzasonan SCHEMBL5159647 0.75 SLC6A2 (0.49) SLC6A2SLC6A4MAPTALDH1A1LMNA

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
WO-2007026219-A2 COMBINATIONS OF A 5-HT1B ANTAGONIST WITH A NORADRENALIN RE-UPTAKE INHIBITOR OR A SEROTONIN NORADRENALIN REUTAKE INHIBITOR FOR TREATING CNS CONDITIONS PFIZER PRODUCTS INC. (US) 2007-03-08 WO claimed
WO-2005053701-A1 COMBINATION OF DOPAMINE AGONISTS AND ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES PFIZER PRODUCTS INC. (US) 2005-06-16 WO claimed