SCHEMBL7004776

SCHEMBL7004776

COc1c[c]cc(OCc2ccccc2)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.49
ADRA1D P25100 3/20 0.49
ADRA1A P35348 3/20 0.49
ADRA1B P35368 3/20 0.49
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ABCB1 P08183 3/20 0.47
APP P05067 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
RXRA P19793 1/20 0.45
BCHE P06276 1/20 0.44
ATM Q13315 1/20 0.44
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
MAOB P27338 1/20 0.44
LIPE Q05469 1/20 0.44

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
SCHEMBL7004124 0.90 BCHE (0.50) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL4198960 0.86 MAPT (0.44) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL5253085 0.84 MAPT (0.50) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL8480468 0.83 MAPT (0.61) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL6312645 0.81 HTR1A (0.63) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL17912878 0.80 MAPT (0.66) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL339374 0.80 HTR1A (0.53) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL182637 0.80 HTR1A (0.53) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL8474968 0.78 HTR1A (0.46) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL7834430 0.78 HTR1A (0.51) HTR1AADRA1DADRA1AADRA1BMAPT

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-1081149-B1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2003-04-02 EP disclosed
US-6372749-B1 PHARMACOLOGICAL EFFECTS SUCH AS ANALGESIC ACTION, INHIBITORY EFFECT ON NITROGEN MONOXIDE SYNTHETASE AND THE LIKE AND ARE USEFUL AS ANALGESICS. OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2002-04-16 US disclosed
EP-1081149-A1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-03-07 EP disclosed