SCHEMBL6164713

SCHEMBL6164713

Fc1ccc(Cc2cccc(C3CCNCC3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.50
SLC6A2 P23975 6/20 0.47
SLC6A4 P31645 6/20 0.47
SLC6A3 Q01959 6/20 0.47
HTR1A P08908 5/20 0.47
SLC18A3 Q16572 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CYP3A4 P08684 1/20 0.44
SLC5A1 P13866 1/20 0.44
SLC5A2 P31639 1/20 0.44
HTR6 P50406 1/20 0.43
HRH1 P35367 1/20 0.42
QDPR P09417 1/20 0.41

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
SCHEMBL7496895 0.88 SLC18A3 (0.61) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL5666500 0.85 CYP3A4 (0.43) HTR1ACYP3A4SLC5A1SLC5A2
SCHEMBL3045406 0.84 HTR2C (0.51) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL378006 0.77 HTR2C (0.62) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL4518387 0.76 HTR2C (0.62) HTR2CSLC6A2SLC6A4SLC18A3SIGMAR1
SCHEMBL4404411 0.76 HTR2C (0.57) HTR2CSLC18A3SIGMAR1CYP3A4HTR6
SCHEMBL22567480 0.76 HTR2C (0.57) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL7624146 0.76 HTR2C (0.57) HTR2CSLC18A3SIGMAR1CYP3A4SLC5A1
Hydrochloric Acid SCHEMBL1765281 0.76 HTR2C (0.64) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL14282659 0.76 SLC18A3 (0.68) HTR2CSLC6A2SLC6A4SLC6A3HTR1A

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