SCHEMBL6162831

SCHEMBL6162831

Fc1ccc(/C=C/CN2CCC(c3ccc(Oc4ccccc4)cc3)CC2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.53
SLC6A4 P31645 2/20 0.51
SLC6A3 Q01959 2/20 0.51
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
CYP2D6 P10635 3/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
MAPK1 P28482 2/20 0.48
KMT2A Q03164 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
THPO P40225 1/20 0.48
HIF1A Q16665 1/20 0.48
CACNA1G O43497 1/20 0.48
CACNA1H O95180 1/20 0.48
LMNA P02545 1/20 0.48
CHRM2 P08172 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
SCHEMBL6162841 1.00 CCR3 (0.53) CCR3SLC6A4SLC6A3PLA2G1BATG4B
SCHEMBL6160199 0.92 HRH3 (0.49) SLC6A4SLC6A3CYP2D6MEN1CYP1A2
SCHEMBL6160208 0.92 HRH3 (0.49) SLC6A4SLC6A3CYP2D6MEN1CYP1A2
SCHEMBL6158965 0.84 SLC6A4 (0.56) CCR3SLC6A4SLC6A3CYP2D6MAPT
SCHEMBL6158956 0.84 SLC6A4 (0.56) CCR3SLC6A4SLC6A3CYP2D6MAPT
SCHEMBL6158891 0.79 GAA (0.55) MEN1KMT2ATSHR
SCHEMBL6158887 0.79 GAA (0.55) MEN1KMT2ATSHR
SCHEMBL3888713 0.77 MCHR1 (0.51) SLC6A4SLC6A3CYP2D6CYP1A2CYP3A4
SCHEMBL6159055 0.77 HRH3 (0.65) SIGMAR1HTR1ADRD2DRD1HTR2A
SCHEMBL7725192 0.77 LMNA (0.54) MAPK1LMNADRD2SMN1; SMN2TSHR

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