SCHEMBL6161962

SCHEMBL6161962

C(=C/c1ccccc1)\CN1CCN(c2ccccc2Cc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
LTA4H P09960 1/20 0.57
LMNA P02545 5/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
USP2 O75604 1/20 0.53
MAPK1 P28482 4/20 0.51
CYP3A4 P08684 2/20 0.51
HIF1A Q16665 2/20 0.51
GAA P10253 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
GMNN O75496 1/20 0.51
ABCB11 O95342 1/20 0.51
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51
HTR1A P08908 1/20 0.51
CHRM5 P08912 1/20 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
SCHEMBL6161973 1.00 ALDH1A1 (0.59) ALDH1A1LTA4HLMNAMEN1KMT2A
SCHEMBL6162767 0.91 MAPT (0.56) ALDH1A1LTA4HLMNAMEN1KMT2A
SCHEMBL6162772 0.91 MAPT (0.56) ALDH1A1LTA4HLMNAMEN1KMT2A
SCHEMBL27543706 0.81 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AGAADRD2
SCHEMBL2579539 0.80 LMNA (0.72) ALDH1A1LTA4HLMNAMEN1KMT2A
SCHEMBL28492580 0.77 KDM4E (0.61) ALDH1A1LTA4HLMNAMEN1KMT2A
SCHEMBL6161140 0.76 ALDH1A1 (0.59) ALDH1A1LMNAMEN1KMT2AMAPK1
SCHEMBL6161143 0.76 ALDH1A1 (0.59) ALDH1A1LMNAMEN1KMT2AMAPK1
SCHEMBL2172785 0.75 HRH1 (0.47) LTA4HMEN1KMT2AMAPK1GAA
Sifaprazine SCHEMBL21524898 0.74 NCF1 (0.58) ALDH1A1LTA4HMEN1KMT2AHTR1A

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