SCHEMBL6161142

SCHEMBL6161142

O=C(CN1CCC(c2ccc(Oc3ccccc3)cc2)CC1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.58
MMP3 P08254 1/20 0.53
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 1/20 0.52
TRPV6 Q9H1D0 1/20 0.51
PARP14 Q460N5 1/20 0.51
PARP10 Q53GL7 1/20 0.51
APP P05067 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48

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
SCHEMBL6159046 0.92 DRD2 (0.60) SIGMAR1MMP3PARP14PARP10
SCHEMBL3890408 0.85 SIGMAR1 (0.62) SIGMAR1MMP3ALDH1A1LMNAGAA
SCHEMBL8216873 0.83 APP (0.55) SIGMAR1ALDH1A1LMNAAPP
SCHEMBL6163074 0.82 HRH3 (0.47) SIGMAR1MMP3PARP14PARP10HRH3
SCHEMBL14064421 0.81 TRPV6 (0.70) SIGMAR1ALDH1A1LMNAGAAKMT2A
SCHEMBL7474955 0.81 ALDH1A1 (0.66) MMP3ALDH1A1LMNAGAAKMT2A
SCHEMBL7478048 0.81 MMP3 (0.45) SIGMAR1MMP3ALDH1A1LMNAGAA
SCHEMBL12041706 0.80 S1PR1 (0.69) SIGMAR1MMP3ALDH1A1LMNAGAA
SCHEMBL7477521 0.79 CHRM4 (0.59) SIGMAR1MMP3HRH3
SCHEMBL381548 0.79 S1PR1 (0.67) SIGMAR1MMP3ALDH1A1LMNAGAA

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