SCHEMBL1966068

SCHEMBL1966068

N#Cc1cccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2cccc(N3CCOCC3)c2)c1.O=C1CCCN1c1cccc(NCc2ccc(Cl)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.41
KCNH2 Q12809 1/20 0.41
CNR2 P34972 1/20 0.40
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
DRD3 P35462 1/20 0.36
HTR6 P50406 1/20 0.36
LMNA P02545 3/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
AKT1 P31749 2/20 0.35
PIK3CA P42336 2/20 0.35
MTOR P42345 2/20 0.35
GPR55 Q9Y2T6 1/20 0.35
HTT P42858 2/20 0.34
HDAC4 P56524 1/20 0.34

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
SCHEMBL302209 0.85 CNR2 (0.51) KCNA5KCNH2CNR2HTR1AHTR2A
SCHEMBL1976194 0.81 CNR2 (0.39) CNR2HTR1AHTR2AHTR2CHTR7
SCHEMBL302217 0.80 HTR2C (0.47) KCNA5KCNH2HTR1AHTR2AHTR2C
SCHEMBL303069 0.78 HTR2C (0.55) CNR2HTR1AHTR2AHTR2CHTR7
SCHEMBL306481 0.77 PARP1 (0.42) CNR2LMNAHPGDTSHRHTT
SCHEMBL1976235 0.77 CNR2 (0.44) CNR2HTR1AHTR2AHTR2CHTR7
SCHEMBL315878 0.75 NTRK1 (0.33) CNR2LMNAHPGDTSHRNPC1
SCHEMBL3230248 0.73 LMNA (0.57) LMNAHPGDTSHRNPC1RAB9A
SCHEMBL3260086 0.71 TSHR (0.39) CNR2HTR1AHTR2AHTR2CHTR7
SCHEMBL1964857 0.71 HDAC4 (0.54) HPGDNPC1RAB9AHTTHDAC4

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-2334637-A1 NOVEL POTASSIUM CHANNEL BLOCKERS Xention Limited (GB) 2011-06-22 EP disclosed
WO-2010023446-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 WO disclosed