SCHEMBL6159027

SCHEMBL6159027

COc1ccc(Cc2ccc(C3CCNCC3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.54
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HRH1 P35367 1/20 0.49
LTA4H P09960 1/20 0.49
KDM1A O60341 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
DRD2 P14416 1/20 0.48
REN P00797 2/20 0.46
SLC18A3 Q16572 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NR3C1 P04150 1/20 0.44
HTR6 P50406 1/20 0.43
PTGIR P43119 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
SCHEMBL239790 0.90 HTR2C (0.64) HTR2CTDP1KDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL2800981 0.88 HTR2C (0.65) HTR2CTDP1KDM1AMAOAMAOB
SCHEMBL16874642 0.83 HTR2C (0.57) HTR2CTDP1ALDH1A1SMN1; SMN2KDM1A
SCHEMBL29891550 0.83 HTR2C (0.57) HTR2CTDP1ALDH1A1SMN1; SMN2KDM1A
SCHEMBL3552712 0.80 HTR3A (0.59) HTR2CTDP1KDM1AMAOAMAOB
SCHEMBL28488068 0.80 HTR3A (0.59) HTR2CTDP1KDM1AMAOAMAOB
SCHEMBL14282659 0.80 SLC18A3 (0.68) HTR2CHRH1LTA4HSLC18A3SIGMAR1
SCHEMBL22324977 0.78 SLC18A3 (0.50) HTR2CRENSLC18A3SIGMAR1HTR6
SCHEMBL3045406 0.78 HTR2C (0.51) HTR2CHRH1SLC18A3SIGMAR1
Hydrochloric Acid SCHEMBL2268492 0.78 HTR3A (0.58) HTR2CTDP1KDM1AMAOAMAOB

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