SCHEMBL7003209

SCHEMBL7003209

Oc1cc[c]cc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.47
ALPG P10696 1/20 0.46
PTK2B Q14289 1/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
LIPE Q05469 1/20 0.45
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 1/20 0.44
HTR1A P08908 2/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL6996715 0.86 APP (0.47) APPALPGPTK2BLMNACYP1A2
SCHEMBL183414 0.84 MAPT (0.48) ALPGPTK2BLMNACYP1A2PTGS1
SCHEMBL1616139 0.81 MAPT (0.55) LMNACYP2C19LIPEMAPTL3MBTL1
SCHEMBL1691977 0.79 HPGD (0.46) ALPGPTK2BHDAC6LIPEMAPT
SCHEMBL22325285 0.79 MAPT (0.44) APPALPGPTK2BSLC6A2SLC6A3
SCHEMBL9232295 0.79 TDP1 (0.44) ALPGPTK2BLMNACYP1A2PTGS1
SCHEMBL8939745 0.78 DRD2 (0.45) ALPGPTK2BCYP1A2LIPEMAPT
SCHEMBL339374 0.78 HTR1A (0.53) APPCYP1A2LIPEMAPTL3MBTL1
SCHEMBL182637 0.78 HTR1A (0.53) APPLMNACYP1A2HDAC6LIPE
SCHEMBL28753114 0.78 SYK (0.47) LMNAHTR1ADRD2KDM4EALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1117093-C Pyrazolo [1, 5-a ] pyrimidine derivatives, their use and compositions OTSUKA PHARMA CO LTD (JP) 2003-08-06 CN disclosed
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
CN-1299362-A Pyrazolo [1,5-a] pyrimidine derivatives OTSUKA PHARMA CO LTD (JP) 2001-06-13 CN disclosed
EP-1081149-A1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-03-07 EP disclosed
CN-1227555-A Cytokine production inhibitors triazepine compounds, and intermediates thereof JAPAN TOBACCO INC (JP) 1999-09-01 CN disclosed
EP-0934940-A1 CYTOKINE PRODUCTION INHIBITORS, TRIAZEPINE COMPOUNDS, AND INTERMEDIATES THEREOF Japan Tobacco Inc. (JP) 1999-08-11 EP disclosed
US-5807850-A Therapeutic agent for osteoporosis and triazepine compound JAPAN TOBACCO, INC. (JP) 1998-09-15 US disclosed
CN-1171788-A Therapeutic agent for osteoporosis and triaza * compound JAPAN TOBACCO INC (JP) 1998-01-28 CN disclosed
EP-0792880-A1 OSTEOPOROSIS REMEDY AND TRIAZEPINE COMPOUND Japan Tobacco Inc. (JP) 1997-09-03 EP disclosed