SCHEMBL6160199

SCHEMBL6160199

C(=C/c1ccccc1)\CN1CCC(c2ccc(Oc3ccccc3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.49
MCHR1 Q99705 3/20 0.48
LMNA P02545 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MMP3 P08254 1/20 0.47
HTR2A P28223 2/20 0.47
HTR2B P41595 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
HTR2C P28335 1/20 0.47
S1PR1 P21453 1/20 0.47
CYP3A4 P08684 2/20 0.46
HIF1A Q16665 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
GMNN O75496 1/20 0.46
ABCB11 O95342 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CHRM2 P08172 1/20 0.46

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
SCHEMBL6160208 1.00 HRH3 (0.49) HRH3MCHR1LMNAMEN1KMT2A
SCHEMBL6162841 0.92 CCR3 (0.53) LMNAMEN1KMT2AHTR2AHTR2B
SCHEMBL6162831 0.92 CCR3 (0.53) LMNAMEN1KMT2AHTR2AHTR2B
SCHEMBL3888713 0.85 MCHR1 (0.51) HRH3MCHR1LMNAHTR2AHTR2B
SCHEMBL6162363 0.84 LMNA (0.54) HRH3MCHR1LMNAGAADRD2
SCHEMBL7725192 0.84 LMNA (0.54) HRH3MCHR1LMNAGAADRD2
SCHEMBL6158891 0.82 GAA (0.55) MCHR1MEN1KMT2AGAA
SCHEMBL6158887 0.82 GAA (0.55) MCHR1MEN1KMT2AGAA
SCHEMBL6158965 0.80 SLC6A4 (0.56) LMNAMEN1KMT2AHTR2AHTR2B
SCHEMBL6158956 0.80 SLC6A4 (0.56) LMNAMEN1KMT2AHTR2AHTR2B

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