SCHEMBL6440142

SCHEMBL6440142

Cc1c(C)n(CC2CC2C)c2c(OCc3ccc(F)cc3F)nncc12

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.76
CYP3A4 P08684 1/20 0.76
CYP2D6 P10635 1/20 0.76
CYP2C9 P11712 1/20 0.76
CYP2C19 P33261 1/20 0.76
HTR6 P50406 1/20 0.40
HTR2A P28223 7/20 0.39
HTR2C P28335 7/20 0.39
SLC6A4 P31645 7/20 0.39
MAPK14 Q16539 6/20 0.34
ALKBH1 Q13686 1/20 0.32
MAOB P27338 1/20 0.32
MAPK11 Q15759 1/20 0.32
PREP P48147 1/20 0.32
PTGER1 P34995 1/20 0.32

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
SCHEMBL7002504 1.00 CYP1A2 (0.76) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7006470 1.00 CYP1A2 (0.76) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5234831 0.89 CYP1A2 (0.61) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5237849 0.86 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2688495 0.86 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5236744 0.86 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5239207 0.85 CYP2C9 (0.56) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7475245 0.82 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7473324 0.81 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7473326 0.81 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050222193-A1 Novel combination for the treatment of airway disorders ALTANA PHARMA AG (DE) 2005-10-06 US claimed
EP-1506016-A2 NEW COMBINATION OF REVERSIBLE PROTON PUMP INHIBITORS AND AIRWAY THERAPEUTICS FOR TREATING AIRWAY DISORDERS ALTANA Pharma AG (DE) 2005-02-16 EP claimed
WO-2003094967-A2 NEW COMBINATION OF REVERSIBLE PROTON PUMP INHIBITORS AND AIRWAY THERAPEUTICS FOR TREATING AIRWAY DISORDERS ALTANA PHARMA AG (DE) 2003-11-20 WO claimed
EP-0742218-B1 PYRROLOPYRIDAZINE DERIVATIVE SANKYO CO (JP) 2002-12-04 EP claimed
US-6063782-A Pyrrolopyridazine derivatives SANKYO COMPANY, LIMITED (JP) 2000-05-16 US claimed
CN-1044811-C Pyrrolopyridazine derivatives SANKYO CO (JP) 1999-08-25 CN claimed
CN-1143964-A Pyrrolopyridazine derivative SANKYO CO (JP) 1997-02-26 CN claimed
EP-0742218-A1 PYRROLOPYRIDAZINE DERIVATIVE SANKYO COMPANY LIMITED (JP) 1996-11-13 EP claimed
US-20050222193-A1 Novel combination for the treatment of airway disorders ALTANA PHARMA AG (DE) 2005-10-06 US disclosed
EP-1506016-A2 NEW COMBINATION OF REVERSIBLE PROTON PUMP INHIBITORS AND AIRWAY THERAPEUTICS FOR TREATING AIRWAY DISORDERS ALTANA Pharma AG (DE) 2005-02-16 EP disclosed
WO-2003094967-A2 NEW COMBINATION OF REVERSIBLE PROTON PUMP INHIBITORS AND AIRWAY THERAPEUTICS FOR TREATING AIRWAY DISORDERS ALTANA PHARMA AG (DE) 2003-11-20 WO disclosed
EP-0742218-B1 PYRROLOPYRIDAZINE DERIVATIVE SANKYO CO (JP) 2002-12-04 EP disclosed
US-6063782-A Pyrrolopyridazine derivatives SANKYO COMPANY, LIMITED (JP) 2000-05-16 US disclosed
CN-1044811-C Pyrrolopyridazine derivatives SANKYO CO (JP) 1999-08-25 CN disclosed
CN-1143964-A Pyrrolopyridazine derivative SANKYO CO (JP) 1997-02-26 CN disclosed
EP-0742218-A1 PYRROLOPYRIDAZINE DERIVATIVE SANKYO COMPANY LIMITED (JP) 1996-11-13 EP disclosed