SCHEMBL6161140

SCHEMBL6161140

C(=C/c1ccccc1)\CN1CCN(c2ccccc2Oc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
MAPK1 P28482 4/20 0.59
KDM4E B2RXH2 3/20 0.59
MAPT P10636 3/20 0.59
NPSR1 Q6W5P4 2/20 0.59
TSHR P16473 2/20 0.59
GLA P06280 1/20 0.59
HPGD P15428 1/20 0.59
ALOX15 P16050 1/20 0.59
HSD17B10 Q99714 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
TDP1 Q9NUW8 3/20 0.57
NSD2 O96028 1/20 0.57
HTT P42858 1/20 0.57
HTR1A P08908 3/20 0.52
SLC6A2 P23975 3/20 0.52
SLC6A4 P31645 3/20 0.52
SLC6A3 Q01959 3/20 0.52
LMNA P02545 4/20 0.51
MEN1 O00255 2/20 0.51

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
SCHEMBL6161143 1.00 ALDH1A1 (0.59) ALDH1A1MAPK1KDM4EMAPTNPSR1
SCHEMBL6160148 0.81 LMNA (0.53) ALDH1A1MAPK1KDM4EMAPTNPSR1
SCHEMBL6160143 0.81 LMNA (0.53) ALDH1A1MAPK1KDM4EMAPTNPSR1
SCHEMBL6160273 0.79 LMNA (0.51) ALDH1A1MAPK1KDM4EMAPTNPSR1
SCHEMBL6160268 0.79 LMNA (0.51) ALDH1A1MAPK1KDM4EMAPTNPSR1
SCHEMBL2579539 0.78 LMNA (0.72) ALDH1A1MAPK1KDM4EMAPTNPSR1
SCHEMBL6161973 0.76 ALDH1A1 (0.59) ALDH1A1MAPK1KDM4EMAPTNPSR1
SCHEMBL6161962 0.76 ALDH1A1 (0.59) ALDH1A1MAPK1KDM4EMAPTNPSR1
SCHEMBL28492580 0.75 KDM4E (0.61) ALDH1A1MAPK1KDM4EMAPTNPSR1
Hydrochloric Acid SCHEMBL9645909 0.75 TDP1 (0.53) ALDH1A1MAPK1KDM4EMAPTNPSR1

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