SCHEMBL7029893

SCHEMBL7029893

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.46
HTR1B P28222 3/20 0.44
KMT2A Q03164 2/20 0.44
MAPK10 P53779 1/20 0.43
RIPK1 Q13546 1/20 0.43
HTR1D P28221 2/20 0.42
MEN1 O00255 1/20 0.42
CFTR P13569 1/20 0.41
HTR1A P08908 1/20 0.41
RORC P51449 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
PARP1 P09874 1/20 0.40
NR2E1 Q9Y466 1/20 0.40

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
SCHEMBL13478788 0.84 KMT2A (0.60) ARHTR1BKMT2AMAPK10RIPK1
SCHEMBL1880461 0.84 HTR1B (0.61) ARHTR1BKMT2AMAPK10RIPK1
SCHEMBL16770071 0.84 KMT2A (0.60) ARHTR1BKMT2AMAPK10RIPK1
SCHEMBL13282483 0.84 KMT2A (0.60) ARHTR1BKMT2AMAPK10RIPK1
SCHEMBL1887917 0.84 HTR1B (0.61) ARHTR1BKMT2AMAPK10RIPK1
Hydrochloric Acid SCHEMBL7541739 0.83 HTR1B (0.60) ARHTR1BKMT2AMAPK10RIPK1
SCHEMBL13282576 0.81 SLC6A4 (0.44) ARHTR1BKMT2AMAPK10RIPK1
SCHEMBL2303026 0.81 HTR1B (0.61) ARHTR1BKMT2AMAPK10RIPK1
SCHEMBL2302198 0.81 HTR1B (0.61) ARHTR1BKMT2AMAPK10RIPK1
Hydrochloric Acid SCHEMBL3470109 0.80 HTR1B (0.60) ARHTR1BKMT2AMAPK10RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2816030-A1 Process for the preparation of frovatriptan and its enantiomer Duke Chem, S. A. (ES) 2014-12-24 EP disclosed
WO-2014202717-A1 PROCESS FOR THE PREPARATION OF FROVATRIPTAN AND ITS ENANTIOMER DUKE CHEM, S.A. (ES) 2014-12-24 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-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-5618947-A SEPARATING THE RACEMIC MIXTURE BY CHROMATOGRAPHY 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
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