SCHEMBL7931286

SCHEMBL7931286

CNC1=CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.52
SLC6A4 P31645 11/20 0.52
SLC6A3 Q01959 11/20 0.52
CYP3A4 P08684 6/20 0.52
CYP2D6 P10635 6/20 0.52
CYP2C19 P33261 5/20 0.52
TP53 P04637 4/20 0.52
CYP1A2 P05177 3/20 0.52
MAPK1 P28482 3/20 0.52
NPC1 O15118 2/20 0.52
MTOR P42345 2/20 0.52
RAB9A P51151 2/20 0.52
TSHR P16473 2/20 0.52
NFKB1 P19838 2/20 0.52
THPO P40225 2/20 0.52
CYP2C9 P11712 1/20 0.52
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
KCNH2 Q12809 4/20 0.51
MAPT P10636 3/20 0.51

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
SCHEMBL5886643 1.00 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL5369344 0.99 MEN1 (0.53) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL331963 0.84 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL331962 0.84 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL20341083 0.84 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL29757853 0.84 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL17449969 0.83 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL15491022 0.82 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL11700098 0.81 SIGMAR1 (0.40) SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL20436753 0.81 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946493-B1 PROCESS FOR PREPARING A NAPHTALENAMINE DERIVATIVE RICHTER GEDEON VEGYESZET (HU) 2001-10-31 EP disclosed
EP-0946493-A1 PROCESS FOR PREPARING A NAPHTALENAMINE DERIVATIVE RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1999-10-06 EP disclosed
WO-1998027050-A1 PROCESS FOR PREPARING A NAPHTALENAMINE DERIVATIVE Richter Gedeon Vegyészeti Gyár Rt. (HU) 1998-06-25 WO disclosed