SCHEMBL2302743

SCHEMBL2302743

Clc1ccc(OC2C[N]C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.52
SLC6A2 P23975 5/20 0.52
SLC6A3 Q01959 5/20 0.52
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 1/20 0.38
FPR2 P25090 4/20 0.37
PROKR1 Q8TCW9 4/20 0.37
EPHX2 P34913 2/20 0.37
LMNA P02545 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
SCHEMBL3120594 0.81 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3FPR2PROKR1
SCHEMBL3123523 0.81 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3FPR2PROKR1
SCHEMBL3115435 0.79 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3MAOAMAOB
SCHEMBL2299147 0.78 CA1 (0.48) MAOAMAOBMEN1KMT2ANPC1
SCHEMBL3125920 0.78 ACHE (0.41) MEN1KMT2AMAPTFPR2PROKR1
SCHEMBL2302199 0.78 EPHX2 (0.41) MEN1KMT2AFPR2PROKR1EPHX2
SCHEMBL2301374 0.78 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3MAPTLMNA
SCHEMBL2298535 0.78 KMT2A (0.40) MEN1KMT2ARAB9A
SCHEMBL2300977 0.78 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL2297195 0.77 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3LMNA

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
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed