SCHEMBL3263279

SCHEMBL3263279

Clc1ccc(CNc2cccc(N3CCOCC3)c2)cc1.O=C1COc2ccc(S(=O)(=O)O)cc2N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.50
TRPV1 Q8NER1 1/20 0.49
PARP1 P09874 1/20 0.48
POLB P06746 1/20 0.46
KMT2A Q03164 3/20 0.46
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
PKM P14618 1/20 0.45
HTR1A P08908 1/20 0.45
CHRM5 P08912 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
HTR2A P28223 1/20 0.45
ADRA1B P35368 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL3263275 0.87 TSHR (0.50) DRD4TRPV1POLBKMT2ATP53
SCHEMBL318081 0.82 DRD4 (0.39) DRD4TRPV1PARP1POLBKMT2A
SCHEMBL1966404 0.78 DRD4 (0.51) DRD4TRPV1POLBKMT2ADRD2
SCHEMBL1964857 0.78 HDAC4 (0.54) MAPTALDH1A1GAAMAPK1
SCHEMBL3263689 0.76 HDAC4 (0.49) MAPTALDH1A1GAAMAPK1
SCHEMBL306481 0.75 PARP1 (0.42) DRD4TRPV1PARP1POLBKMT2A
SCHEMBL3262613 0.73 HDAC4 (0.45) MAPTALDH1A1GAAMAPK1
SCHEMBL1970405 0.71 PKM (0.59) PARP1POLBKMT2APKMMAPT
SCHEMBL29893671 0.71 PKM (0.59) PARP1POLBKMT2APKMMAPT
SCHEMBL6909954 0.70 DRD4 (0.80) DRD4TRPV1PARP1DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010023446-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 WO claimed