SCHEMBL9989670

SCHEMBL9989670

CC(C(=O)N(C)Cc1ccccc1)N1CCNCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
PKM P14618 1/20 0.61
HPGD P15428 1/20 0.54
HRH3 Q9Y5N1 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
OPRD1 P41143 3/20 0.45
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
OPRM1 P35372 1/20 0.43
LMNA P02545 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
SCHEMBL9990035 0.76 SIGMAR1 (0.43) KDM4EPKMOPRD1OPRM1
SCHEMBL4039571 0.75 KMT2A (0.64) KMT2AMEN1ALDH1A1POLBNPC1
SCHEMBL6605312 0.75 HTR2C (0.47) KMT2AMEN1ALDH1A1OPRD1SLC6A2
SCHEMBL12251783 0.74 HPGD (0.72) HPGDKMT2AMEN1NPC1RAB9A
SCHEMBL4369147 0.73 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1OPRD1SLC6A2
SCHEMBL4869220 0.72 OPRD1 (0.53) KDM4EKMT2AMEN1ALDH1A1OPRD1
SCHEMBL1007950 0.71 HPGD (0.68) HPGDKMT2AMEN1NPC1RAB9A
SCHEMBL3220549 0.71 HPGD (0.68) HPGDKMT2AMEN1NPC1RAB9A
SCHEMBL21538629 0.71 HPGD (0.68) HPGDKMT2AMEN1ALDH1A1NPC1
SCHEMBL1007948 0.71 HPGD (0.68) HPGDKMT2AMEN1NPC1RAB9A

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-2011161615-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO claimed