SCHEMBL7031455

SCHEMBL7031455

CCN[C@H]1CCc2[nH]c3ccc(NC=O)cc3c2C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.47
HTR1B P28222 2/20 0.47
HTR1D P28221 1/20 0.47
DRD2 P14416 2/20 0.45
DRD4 P21917 1/20 0.45
HTR1E P28566 1/20 0.45
HTR7 P34969 1/20 0.45
OPRM1 P35372 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
RB1 P06400 2/20 0.42
HTR1F P30939 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 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
SCHEMBL7027800 1.00 HTR1A (0.47) HTR1AHTR1BHTR1DDRD2DRD4
SCHEMBL7031137 1.00 HTR1A (0.47) HTR1AHTR1BHTR1DDRD2DRD4
Hydrochloric Acid SCHEMBL7025647 0.99 HTR1A (0.47) HTR1AHTR1BHTR1DDRD2DRD4
Oxalic Acid SCHEMBL7031650 0.95 HTR1A (0.48) HTR1AHTR1BHTR1DDRD2DRD4
Succinic Acid SCHEMBL7031956 0.93 HTR1A (0.55) HTR1AHTR1BHTR1DDRD2DRD4
SCHEMBL8649229 0.91 HTR1A (0.52) HTR1AHTR1BHTR1DDRD2DRD4
SCHEMBL2301469 0.87 HTR1B (0.61) HTR1AHTR1BHTR1DDRD2DRD4
SCHEMBL980209 0.87 HTR1B (0.61) HTR1AHTR1BHTR1DDRD2DRD4
SCHEMBL7031093 0.87 HTR1B (0.61) HTR1AHTR1BHTR1DDRD2DRD4
Oxalic Acid SCHEMBL7539965 0.87 HTR1A (0.52) HTR1AHTR1BHTR1DDRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070051-B1 PROCESS FOR THE PRODUCTION OF R-(+)-6- CARBOXAMIDO- 3-N- METHYLAMINO- 1,2,3,4- TETRAHYDROCARBAZOLE VERNALIS DEV LTD (GB) 2015-06-03 EP disclosed
EP-0674621-B1 ENANTIOMERS OF CARBAZOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS VERNALIS LTD (GB) 2003-02-26 EP disclosed
US-6359146-B1 RESOLUTION OF ENANTIOMORPH MIXTURE VERNALIS LIMITED (GB) 2002-03-19 US 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-5650426-A Enantiomers of carbazole derivatives as 5-HT.sub. 1-like agonists SMITHKLINE BEECHAM PLC (GB) 1997-07-22 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
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