SCHEMBL7102071

SCHEMBL7102071

CC(C)(C)OC(=O)NC1CCc2[nH]c3ccc(C(=O)NO)cc3c2C1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 3/20 0.56
HTR1A P08908 2/20 0.56
HTR1D P28221 1/20 0.56
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
HTR1E P28566 1/20 0.50
HTR7 P34969 1/20 0.50
OPRM1 P35372 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.46
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL8531461 0.90 KMT2A (0.62) HTR1BHTR1AHTR1DKMT2AMEN1
SCHEMBL12637107 0.87 HTR1A (0.51) HTR1BHTR1AHTR1DKMT2AMEN1
SCHEMBL8530386 0.85 KMT2A (0.59) HTR1BHTR1AHTR1DKMT2AMEN1
SCHEMBL1899834 0.85 HTR1A (0.51) HTR1BHTR1AHTR1DKMT2AMEN1
SCHEMBL14624292 0.85 HTR1B (0.53) HTR1BHTR1AHTR1DKMT2AMEN1
SCHEMBL6530651 0.85 HTR1A (0.51) HTR1BHTR1AHTR1DKMT2AMEN1
SCHEMBL1903598 0.85 HTR1A (0.51) HTR1BHTR1AHTR1DKMT2AMEN1
SCHEMBL1899835 0.85 HTR1A (0.51) HTR1BHTR1AHTR1DKMT2AMEN1
SCHEMBL3791546 0.84 HTR1B (0.77) HTR1BHTR1AHTR1DKMT2AMEN1
SCHEMBL2356044 0.84 HTR1B (0.77) HTR1BHTR1AHTR1DKMT2AMEN1

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-0674621-B1 ENANTIOMERS OF CARBAZOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS VERNALIS LTD (GB) 2003-02-26 EP disclosed
EP-0674621-A1 ENANTIOMERS OF CARBAZOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-04 EP disclosed
WO-1994014772-A1 ENANTIOMERS OF CARBAZOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 WO disclosed
EP-0591280-A1 USE OF TETRAHYDROCARBAZOLE DERIVATIVES AS 5HT1-RECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-04-13 EP disclosed
WO-1993000086-A1 USE OF TETRAHYDROCARBAZONE DERIVATIVES AS 5HT1 RECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-01-07 WO disclosed