SCHEMBL6162676

SCHEMBL6162676

Cc1cc(-c2ccc(F)cc2)ccc1C1CCN(CC(O)COc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.58
TSHR P16473 1/20 0.57
USP2 O75604 1/20 0.56
PRMT5 O14744 1/20 0.55
WDR77 Q9BQA1 1/20 0.55
DRD4 P21917 4/20 0.53
DRD2 P14416 3/20 0.53
DRD3 P35462 3/20 0.53
CACNA1G O43497 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL6162587 0.83 KDM4E (0.47) TSHRKDM4E
SCHEMBL3892463 0.78 CHRNA7 (0.72) CHRNA7TSHRDRD4DRD2DRD3
SCHEMBL16783935 0.77 CACNA1G (0.69) TSHRUSP2DRD4CACNA1GL3MBTL1
SCHEMBL16783991 0.77 CACNA1G (0.69) TSHRUSP2DRD4CACNA1GL3MBTL1
SCHEMBL16783934 0.77 CACNA1G (0.69) TSHRUSP2DRD4CACNA1GL3MBTL1
SCHEMBL8220682 0.76 TSHR (0.60) TSHRUSP2DRD4DRD2DRD3
SCHEMBL11741470 0.76 ACE2 (0.72) TSHRUSP2PRMT5WDR77CACNA1G
SCHEMBL6159875 0.74 HTR2A (0.54) DRD4DRD2
Hydrochloric Acid SCHEMBL9750973 0.74 L3MBTL1 (0.74) CHRNA7TSHRDRD4DRD2DRD3
SCHEMBL6160819 0.73 DRD2 (0.55) DRD4DRD2

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 3 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
EP-0755923-A1 AMELIORANT OR REMEDY FOR SYMPTOMS CAUSED BY ISCHEMIC DISEASES AND COMPOUNDS USEFUL THEREFOR SUNTORY LIMITED (JP) 1997-01-29 EP disclosed