SCHEMBL6161997

SCHEMBL6161997

COc1ccc(Cc2ccc(C3=CCNCC3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.54
QDPR P09417 3/20 0.52
HTR2C P28335 5/20 0.50
SIGMAR1 Q99720 2/20 0.50
HTR6 P50406 4/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
HTR1D P28221 1/20 0.48
MAPK1 P28482 1/20 0.48
BRCA1 P38398 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTR7 P34969 1/20 0.47
LTA4H P09960 1/20 0.46
PTGIR P43119 1/20 0.44
TGFBR1 P36897 1/20 0.43

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
SCHEMBL894220 0.91 QDPR (0.60) KHKQDPRHTR2CSIGMAR1HTR6
Hydrochloric Acid SCHEMBL6739875 0.89 HTR2C (0.61) KHKQDPRHTR2CSIGMAR1HTR6
SCHEMBL14704894 0.81 QDPR (0.54) KHKQDPRHTR2CSIGMAR1HTR6
Hydrochloric Acid SCHEMBL16874680 0.80 QDPR (0.52) KHKQDPRHTR2CSIGMAR1HTR6
SCHEMBL3032622 0.80 HTR2C (0.54) KHKQDPRHTR2CSIGMAR1HTR6
Water SCHEMBL7966495 0.78 QDPR (0.58) KHKQDPRHTR2CSIGMAR1HTR6
1,2,3,4-Tetrahydroisoquinoline SCHEMBL28142548 0.77 PNMT (0.51) KHKQDPRHTR2CSIGMAR1HTR6
SCHEMBL9974662 0.77 HTR2C (0.59) QDPRHTR2CSIGMAR1HTR6
SCHEMBL14085315 0.75 QDPR (0.43) KHKQDPRHTR2CSIGMAR1HTR6
SCHEMBL6161994 0.74 HTR6 (0.53) KHKQDPRHTR2CSIGMAR1HTR6

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