SCHEMBL7031370

SCHEMBL7031370

N#Cc1ccc2[nH]c3c(c2c1)CC(OC(=O)c1ccccc1)CC3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HTR1B P28222 3/20 0.43
HTR1A P08908 2/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
GSK3B P49841 1/20 0.41
CCNA1 P78396 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
HTR1D P28221 1/20 0.41
HTR6 P50406 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
HTR1E P28566 1/20 0.41
HTR7 P34969 1/20 0.41

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
SCHEMBL12127595 0.85 SIRT1 (0.51) KMT2AMEN1HTR1BHTR1AHTR1D
SCHEMBL7410585 0.84 KMT2A (0.51) KMT2AMEN1HTR1BHTR1AHTR1D
SCHEMBL7413500 0.84 SIRT1 (0.50) KMT2AMEN1HTR1BHTR1AHTR1D
SCHEMBL7407777 0.83 NR2E1 (0.53) KMT2AMEN1CHRNA7MAPT
Hydrochloric Acid SCHEMBL7417242 0.82 NR2E1 (0.52) KMT2AMEN1CHRNA7MAPT
SCHEMBL7410108 0.82 HTR1D (0.58) KMT2AMEN1HTR1BHTR1DCFTR
SCHEMBL7406466 0.80 KMT2A (0.50) KMT2AMEN1HTR1BHTR1AHTR1D
SCHEMBL7411645 0.79 HTR1B (0.49) KMT2AMEN1HTR1BHTR1AHTR1D
SCHEMBL7413807 0.79 KMT2A (0.46) KMT2AMEN1HTR1BHTR1AHTR1D
SCHEMBL7407819 0.79 KMT2A (0.44) KMT2AMEN1HTR1BHTR1AHTR1D

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
WO-2010122343-A1 A PROCESS FOR THE PREPARATION OF FROVATRIPTAN AND FROVATRIPTAN SUCCINATE AND THEIR SYNTHETIC INTERMEDIATES GENERICS [UK] LIMITED (GB) 2010-10-28 WO disclosed
EP-0674621-B1 ENANTIOMERS OF CARBAZOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS VERNALIS LTD (GB) 2003-02-26 EP disclosed
US-5962501-A HEADACHES SMITHKLINE BEECHAM, P.L.C. (GB) 1999-10-05 US disclosed
US-5917054-A ALKYLATING ENANTIOMER OF 3-AMINO-6-CARBOXAMIDO-1,2,3,4-TETRAHYDROCARBAZOLE OR A SALT SMITHKLINE BEECHAM P.L.C. (GB) 1999-06-29 US disclosed
US-5827871-A VASODILATION DISORDERS, ESPECIALLY MIGRAINE HEADACHES; SIDE EFFECT REDUCTION SMITHKLINE BEECHAM PLC (GB) 1998-10-27 US disclosed
EP-0603432-B1 Tetrahydrocarbazole derivatives for the manufacture of a medicament for the treatment of a disease where a 5-HT1-like agonist is indicated SMITHKLINE BEECHAM PLC (GB) 1998-10-21 EP disclosed
EP-0591280-B1 USE OF TETRAHYDROCARBAZOLE DERIVATIVES AS 5HT1-RECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-09-09 EP disclosed
US-5650426-A Enantiomers of carbazole derivatives as 5-HT.sub. 1-like agonists SMITHKLINE BEECHAM PLC (GB) 1997-07-22 US disclosed
US-5637611-A Medicaments SMITHKLINE BEECHAM P.L.C. (GB) 1997-06-10 US disclosed
US-5618947-A SEPARATING THE RACEMIC MIXTURE BY CHROMATOGRAPHY SMITHKLINE BEECHAM, P.L.C. (GB) 1997-04-08 US disclosed
US-5618948-A TREATMENT OF 6-CARBOXAMIDO-3-METHYLAMINO-1,2,3,4-TETRAHYDROCARBAZOLE WITH 2-PYRROLIDONE-5-CARBOXYLIC ACID, CRYSTALLIZATION SMITHKLINE BEECHAM P.L.C. (GB) 1997-04-08 US disclosed
US-5616603-A TREATING MIGRAINES SMITHKLINE BEECHAM PLC (GB) 1997-04-01 US disclosed
US-5464864-A Use of tetrahydrocarbazone derivatives as 5HT1 receptor agonists SMITHKLINE BEECHAM P.L.C. (GB) 1995-11-07 US 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-0603432-A1 Tetrahydrocarbazole derivatives for the manufacture of a medicament for the treatment of a disease where a 5-HT1-like agonist is indicated SMITHKLINE BEECHAM PLC (GB) 1994-06-29 EP disclosed