SCHEMBL872958

SCHEMBL872958

O=C(O)Cc1ccccc1Oc1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 2/20 0.67
CHRM1 P11229 1/20 0.67
PPARA Q07869 1/20 0.60
HTR2A P28223 2/20 0.56
SLC6A4 P31645 2/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A3 Q01959 1/20 0.56
CAMK2A Q9UQM7 2/20 0.55
PTGDR2 Q9Y5Y4 1/20 0.55
SLC1A5 Q15758 1/20 0.54
MAPT P10636 1/20 0.50
FFAR1 O14842 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
FABP4 P15090 1/20 0.47
FABP5 Q01469 1/20 0.47

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
Ammonia Solution, Strong SCHEMBL872909 0.98 CHRM1 (0.65) CXCL8CHRM1PPARAHTR2ASLC6A4
SCHEMBL838629 0.88 CAMK2A (0.68) CXCL8CHRM1PPARASLC6A4SLC6A2
SCHEMBL966658 0.87 PPARA (0.57) CXCL8CHRM1PPARAHTR2ASLC6A4
Hydrogen Sulfide SCHEMBL28780977 0.86 CAMK2A (0.66) CXCL8CHRM1PPARASLC6A4SLC6A2
SCHEMBL11121989 0.86 CHRM1 (0.51) CXCL8CHRM1PPARAHTR2ASLC6A4
SCHEMBL872781 0.86 CHRM1 (0.52) CXCL8CHRM1PPARAHTR2ASLC6A4
SCHEMBL11335218 0.85 CXCL8 (0.59) CXCL8CHRM1CAMK2AFFAR1ALDH1A1
SCHEMBL10561756 0.85 CXCL8 (0.69) CXCL8CHRM1PPARAHTR2ASLC6A4
SCHEMBL2353783 0.85 CAMK2A (0.69) CXCL8CHRM1PPARACAMK2AFFAR1
SCHEMBL11574819 0.84 CHRM1 (0.58) CXCL8CHRM1PPARAHTR2ASLC6A4

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 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012038975-A2 PROCESS FOR THE PREPARATION OF (3ARS,12BRS)-5-CHLORO-2-METHYL-2,3,3A12B-TETRAHYDRO-1HDIBENZO[2,3:6,7] OXEPINO [4,5-C]PYRROLE MALEATE AND IT'S PHARMACEUTICAL COMPOSITION THEREOF MSN LABORATORIES LIMITED (IN) 2012-03-29 WO claimed
EP-2520176-B1 Method for increasing the nutritional value of rapeseed and rape products with decreased oil content ROP REPCE OLAJ PELLET KFT (HU) 2019-02-20 EP disclosed
EP-2468751-B1 Processes for the preparation of 5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole MEDICHEM SA (ES) 2016-03-16 EP disclosed
EP-2468751-B1 Processes for the preparation of 5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole MEDICHEM SA (ES) 2016-03-16 EP disclosed
US-8921359-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-8921359-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-8921359-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
EP-2324032-B1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS INC (US) 2014-10-01 EP disclosed
EP-2324032-B1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS INC (US) 2014-10-01 EP disclosed
US-8779161-B2 Asenapine maleate DR. REDDY'S LABORATORIES LIMITED (IN) 2014-07-15 US disclosed
EP-1710241-A1 Intermediate compounds for the prepation of trans-5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1h-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole Organon Ireland Ltd. (IE) 2006-10-11 EP disclosed
US-20060154954-A1 Combinations and use of selected pharmaceutically active compounds ALTANA PHARMA AG (DE) 2006-07-13 US disclosed
EP-0556381-B1 N-(4-PYRIDYL OR 4-QUINOLINYL) ARYLACETAMIDE PESTICIDES DOW AGROSCIENCES LLC (US) 1999-04-28 EP disclosed
EP-0555469-A4 4-(ARALKOXY OR ARALKYLAMINO)PYRIDINE PESTICIDES----------------- DOWELANCO (US) 1995-06-21 EP disclosed
EP-0556381-A4 DOWELANCO (US) 1995-06-21 EP disclosed
US-5399564-A N-(4-pyridyl or 4-quinolinyl) arylacetamide and 4-(aralkoxy or aralkylamino) pyridine pesticides DOWELANCO (US) 1995-03-21 US disclosed
EP-0556381-A1 N-(4-PYRIDYL OR 4-QUINOLINYL) ARYLACETAMIDE PESTICIDES DOWELANCO (US) 1993-08-25 EP disclosed
EP-0555469-A1 4-(ARALKOXY OR ARALKYLAMINO)PYRIDINE PESTICIDES----------------- DOWELANCO (US) 1993-08-18 EP disclosed
WO-1993004580-A1 N-(4-PYRIDYL OR 4-QUINOLINYL) ARYLACETAMIDE PESTICIDES DOWELANCO (US) 1993-03-18 WO disclosed
WO-1993005050-A1 4-(ARALKOXY OR ARALKYLAMINO)PYRIDINE PESTICIDES_________________ DOWELANCO (US) 1993-03-18 WO disclosed