Benzene

Benzene

SCHEMBL6163077

CC(=NO)N1CCC(c2ccc(Oc3ccccc3)cc2)CC1.c1ccccc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.47
PARP14 Q460N5 3/20 0.47
MMP3 P08254 1/20 0.46
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
HSD11B1 P28845 1/20 0.43
HRH3 Q9Y5N1 2/20 0.43
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
KCNH2 Q12809 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
LMNA P02545 1/20 0.40
CCR1 P32246 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
SCHEMBL31616130 0.75 NAMPT (0.61) PARP10PARP14MMP3RAB9ANPC1
SCHEMBL19322267 0.75 KDM1A (0.57) MMP3RAB9ANPC1HRH3KCNH2
SCHEMBL3970721 0.75 KDM1A (0.57) MMP3RAB9ANPC1HRH3KCNH2
SCHEMBL945091 0.74 MMP3 (0.54) PARP10PARP14MMP3RAB9ANPC1
SCHEMBL6163074 0.74 HRH3 (0.47) PARP10PARP14MMP3HRH3
SCHEMBL6161283 0.74 DRD2 (0.55) MMP3HRH3ALDH1A1SLC6A4
SCHEMBL8845160 0.73 NPC1 (0.74) PARP10PARP14MMP3RAB9ANPC1
SCHEMBL8710331 0.71 KDM1A (0.53) MMP3SLC6A2SLC6A4SLC6A3
SCHEMBL26154062 0.71 KDM1A (0.53) MMP3HRH3KCNH2SLC6A2SLC6A4
SCHEMBL27477245 0.71 SLC18A3 (0.57) MMP3HRH3

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-0755923-B1 Ameliorant or remedy for symptoms caused by Ischemic diseases and Phenylpiperidine compounds useful therefor DAIICHI SUNTORY PHARMA CO LTD (JP) 2005-05-04 EP disclosed
US-6469010-B1 COMPOSITION ALSO FOR ALLEVIATION OR TREATMENT OF SYMPTOMS DERIVED FROM SEIZURES, EPILEPSY AND MIGRAINE HEADACHES, AND SUPPRESSION OF CALCIUM ION OVERLOAD SUNTORY LIMITED (JP) 2002-10-22 US disclosed
US-6048876-A ANTICONVULSANTS; ANTIEPILEPIC AGENT SUNTORY LIMITED (JP) 2000-04-11 US disclosed
EP-0755923-A1 AMELIORANT OR REMEDY FOR SYMPTOMS CAUSED BY ISCHEMIC DISEASES AND COMPOUNDS USEFUL THEREFOR SUNTORY LIMITED (JP) 1997-01-29 EP disclosed