SCHEMBL14167174

SCHEMBL14167174

NC(=O)[CH]Cc1nccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.46
ALDH1A1 P00352 4/20 0.37
CYP2C19 P33261 2/20 0.36
TSHR P16473 3/20 0.35
HSD17B10 Q99714 2/20 0.35
NOS1 P29475 1/20 0.35
PKM P14618 2/20 0.35
SLC6A3 Q01959 3/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
USP2 O75604 1/20 0.33
ACP1 P24666 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32

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
Carbamic Acid SCHEMBL2360596 0.80 FDPS (0.41) FDPSALDH1A1CYP2C19TSHRHSD17B10
SCHEMBL291398 0.77 MAPT (0.43) FDPSALDH1A1CYP2C19TSHRPKM
SCHEMBL6250316 0.76 FDPS (0.36) FDPSTRPM8
SCHEMBL474771 0.75
SCHEMBL247632 0.74
SCHEMBL8267525 0.74
Hydrochloric Acid SCHEMBL6240582 0.73 FDPS (0.44) FDPSALDH1A1CYP2C19TSHRHSD17B10
Hydrochloric Acid SCHEMBL6237915 0.73 FDPS (0.44) FDPSALDH1A1CYP2C19TSHRHSD17B10
SCHEMBL10716865 0.73 FDPS (0.41) FDPSALDH1A1TSHRPKMSLC6A3
SCHEMBL175216 0.72 FDPS (0.43) FDPSALDH1A1CYP2C19TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718266-A1 PYRIDIN- 2 -AMIDES USEFUL AS CB2 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2014-04-16 EP claimed
WO-2012168350-A1 PYRIDIN- 2 -AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 WO claimed
EP-2771327-A1 NOVEL PYRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-09-03 EP disclosed
EP-2718266-A1 PYRIDIN- 2 -AMIDES USEFUL AS CB2 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2014-04-16 EP disclosed
WO-2013060751-A1 NOVEL PYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-05-02 WO disclosed
WO-2012168350-A1 PYRIDIN- 2 -AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 WO disclosed