SCHEMBL5957034

SCHEMBL5957034

C=CCc1cccc2[c]c[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
AKR1B1 P15121 1/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
GAA P10253 2/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL9582454 0.77 ASH1L (0.34)
SCHEMBL3666835 0.71 GABRA1 (0.40) GABRA1GABRB2AKR1B1MEN1KMT2A
SCHEMBL22482014 0.68 GABRA1 (0.47) GABRA1GABRB2AKR1B1MEN1KMT2A
SCHEMBL10759141 0.68 AHR (0.46) GABRA1GABRB2
SCHEMBL5174789 0.67 GABRA1 (0.42) GABRA1GABRB2AKR1B1MEN1KMT2A
SCHEMBL19856499 0.67 GABRA1 (0.42) GABRA1GABRB2AKR1B1MEN1KMT2A
SCHEMBL7288932 0.66 HPGD (0.35) L3MBTL1MAPTALDH1A1LMNA
SCHEMBL1969683 0.66 CA12 (0.38)
SCHEMBL959953 0.66 TRIM24 (0.39) MAPTGAAALDH1A1
SCHEMBL5824091 0.66 GABRA1 (0.58) GABRA1GABRB2AKR1B1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1686985-A2 USE OF NEUROKININ ANTAGONISTS IN THE TREATMENT OF URINARY INCONTINENCE Novartis AG (CH) 2006-08-09 EP claimed
WO-2005039563-A2 USE OF NEUROKININ ANTAGONISTS IN THE TREATMENT OF URINARY INCONTINENCE NOVARTIS AG (CH) 2005-05-06 WO claimed
EP-1476167-A1 USE OF ACYLAMINOALKENYLENE-AMIDE DERIVATIVES IN FUNCTIONAL MOTILITY DISORDERS OF THE VISCERA Novartis AG (CH) 2004-11-17 EP claimed
WO-2004037266-A1 COMPOUNDS FOR THE TREATMENT OF COUGH NOVARTIS AG (CH) 2004-05-06 WO claimed
WO-2003066062-A1 USE OF ACYLAMINOALKENYLENE-AMIDE DERIVATIVES IN FUNCTIONAL MOTILITY DISORDERS OF THE VISCERA NOVARTIS AG (CH) 2003-08-14 WO claimed
WO-2001085696-A1 BUTENOIC ACIDS DERIVATIVES AND THEIR USE IN THE TREATMENT OF RHINITIS NOVARTIS AG (CH) 2001-11-15 WO claimed
EP-1686985-A2 USE OF NEUROKININ ANTAGONISTS IN THE TREATMENT OF URINARY INCONTINENCE Novartis AG (CH) 2006-08-09 EP disclosed
WO-2005039563-A2 USE OF NEUROKININ ANTAGONISTS IN THE TREATMENT OF URINARY INCONTINENCE NOVARTIS AG (CH) 2005-05-06 WO disclosed
EP-1476167-A1 USE OF ACYLAMINOALKENYLENE-AMIDE DERIVATIVES IN FUNCTIONAL MOTILITY DISORDERS OF THE VISCERA Novartis AG (CH) 2004-11-17 EP disclosed
WO-2004037266-A1 COMPOUNDS FOR THE TREATMENT OF COUGH NOVARTIS AG (CH) 2004-05-06 WO disclosed
WO-2003066062-A1 USE OF ACYLAMINOALKENYLENE-AMIDE DERIVATIVES IN FUNCTIONAL MOTILITY DISORDERS OF THE VISCERA NOVARTIS AG (CH) 2003-08-14 WO disclosed
WO-2001085696-A1 BUTENOIC ACIDS DERIVATIVES AND THEIR USE IN THE TREATMENT OF RHINITIS NOVARTIS AG (CH) 2001-11-15 WO disclosed