SCHEMBL6161610

SCHEMBL6161610

c1ccc(CCCN2CCC(c3ccc(Oc4ccccc4)cc3)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.76
MEN1 O00255 1/20 0.70
TP53 P04637 1/20 0.70
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70
TSHR P16473 1/20 0.70
CYP2C19 P33261 1/20 0.70
KMT2A Q03164 1/20 0.70
HRH3 Q9Y5N1 1/20 0.62
S1PR1 P21453 1/20 0.62
CHRM4 P08173 1/20 0.56

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
SCHEMBL9521523 0.87 SIGMAR1 (1.00) SIGMAR1MEN1TP53CYP1A2CYP3A4
SCHEMBL7402939 0.84 SIGMAR1 (0.75) SIGMAR1MEN1TP53CYP1A2CYP3A4
SCHEMBL866873 0.83 SIGMAR1 (1.00) SIGMAR1MEN1TP53CYP1A2CYP3A4
SCHEMBL7405795 0.83 SIGMAR1 (0.72) SIGMAR1HRH3CHRM4
SCHEMBL7469402 0.82 HRH3 (0.60) SIGMAR1MEN1TP53CYP1A2CYP3A4
SCHEMBL9373391 0.81 SIGMAR1 (1.00) SIGMAR1MEN1TP53CYP1A2CYP3A4
SCHEMBL8468794 0.81 SIGMAR1 (0.81) SIGMAR1MEN1TP53CYP1A2CYP3A4
SCHEMBL7319920 0.80 SIGMAR1 (0.69) SIGMAR1MEN1TP53CYP1A2CYP3A4
SCHEMBL7402940 0.80 SIGMAR1 (0.81) SIGMAR1MEN1TP53CYP1A2CYP3A4
SCHEMBL7372250 0.80 SIGMAR1 (0.81) SIGMAR1MEN1TP53CYP1A2CYP3A4

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