SCHEMBL249172

SCHEMBL249172

OC(O)CCc1ccccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.62
SLC6A4 P31645 1/20 0.62
SLC6A3 Q01959 1/20 0.62
TAAR1 Q96RJ0 5/20 0.56
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
IDO1 P14902 4/20 0.48
PNMT P11086 1/20 0.48
AOC3 Q16853 1/20 0.47
KCNH2 Q12809 1/20 0.47
PKM P14618 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL30565246 1.00 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3TAAR1HTR3E
SCHEMBL10585872 0.85 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3TAAR1HTR3E
SCHEMBL3879663 0.84 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3TAAR1HTR3E
SCHEMBL16055309 0.84 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3TAAR1HTR3E
SCHEMBL11460626 0.84 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3TAAR1HTR3E
SCHEMBL30849682 0.82 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3TAAR1HTR3E
SCHEMBL1927340 0.81 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3TAAR1HTR3E
SCHEMBL8418981 0.81 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3TAAR1HTR3E
SCHEMBL11165337 0.81 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3TAAR1HTR3E
SCHEMBL16269085 0.80 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3TAAR1HTR3E

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-2590936-A2 PHENYLCARBAMATE COMPOUND AND MUSCLE RELAXANT CONTAINING THE SAME Bio-Pharm Solutions Co., Ltd. (KR) 2013-05-15 EP disclosed
WO-2012002773-A2 PHENYLCARBAMATE COMPOUND AND MUSCLE RELAXANT CONTAINING THE SAME BIO-PHARM SOLUTIONS CO., LTD. (KR) 2012-01-05 WO disclosed