SCHEMBL7835236

SCHEMBL7835236

COc1c[c]cc(OC)c1OCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
SIGMAR1 Q99720 4/20 0.44
EBP Q15125 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
ABCB1 P08183 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
SCHEMBL7004124 0.83 BCHE (0.50) HTR1AADRA1DADRA1AADRA1B
SCHEMBL10191805 0.81 SMN1; SMN2 (0.61) SMN1; SMN2HTR1AADRA1DADRA1AADRA1B
SCHEMBL13339111 0.80 MAPT (0.48) SMN1; SMN2HTR1AADRA1DADRA1AADRA1B
SCHEMBL791938 0.77 HTR1A (0.60) HTR1AADRA1DADRA1AADRA1BSIGMAR1
SCHEMBL7004776 0.77 HTR1A (0.49) HTR1AADRA1DADRA1AADRA1BABCB1
SCHEMBL20970890 0.76 HTR2A (0.62)
SCHEMBL14835845 0.75 ALOX5 (0.50) HTR1AADRA1DADRA1AADRA1BSIGMAR1
SCHEMBL862597 0.75 SIGMAR1 (0.52) SIGMAR1EBPTMEM97
SCHEMBL7847500 0.74 SMN1; SMN2 (0.45) SMN1; SMN2
SCHEMBL19612479 0.74 ABCB1 (0.53) HTR1AADRA1DADRA1AADRA1BSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714898-B1 PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2001-11-14 EP disclosed
CN-1046730-C Pyrazolo [1,5-a ] pyrimidine derivatives OTSUKA PHARMA CO LTD (JP) 1999-11-24 CN disclosed
US-5707997-A ANALGESICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-01-13 US disclosed
CN-1131948-A Pyrazolo [1, 5-a ] pyrimidine derivatives OTSUKA PHARMA CO LTD (JP) 1996-09-25 CN disclosed
EP-0714898-A1 PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-06-05 EP disclosed