SCHEMBL96022

SCHEMBL96022

[CH2]c1ccc(C(=O)N(C)c2cccnc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.62
KDM4E B2RXH2 2/20 0.54
KMT2A Q03164 1/20 0.54
MLYCD O95822 1/20 0.47
HTT P42858 2/20 0.47
NOTUM Q6P988 1/20 0.44
GRM1 Q13255 1/20 0.43
HSD17B10 Q99714 4/20 0.43
TSHR P16473 1/20 0.43
OXTR P30559 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NR1H3 Q13133 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL6237453 0.86 KDM4E (0.68) TRPV1KDM4EKMT2AMLYCDHTT
SCHEMBL7377948 0.85 TRPV1 (0.62) TRPV1KDM4EKMT2AMLYCDHTT
SCHEMBL12978258 0.84 TRPV1 (0.61) TRPV1KDM4EKMT2AMLYCDHTT
SCHEMBL790740 0.84 TRPV1 (0.57) TRPV1KDM4EKMT2AMLYCDHTT
SCHEMBL12977961 0.82 TRPV1 (0.60) TRPV1KDM4EKMT2AMLYCDHTT
SCHEMBL12977938 0.82 HTT (0.71) TRPV1KDM4EKMT2AHTTNPC1
SCHEMBL13095806 0.81 TRPV1 (0.69) TRPV1KDM4EKMT2AMLYCDHTT
SCHEMBL12977783 0.81 TRPV1 (0.69) TRPV1KDM4EKMT2AMLYCDHTT
SCHEMBL95975 0.81 KDM4E (0.65) TRPV1KDM4EKMT2AMLYCDHTT
SCHEMBL7370263 0.80 TRPV1 (0.57) TRPV1KDM4EKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed