SCHEMBL3470949

SCHEMBL3470949

CNC1CCc2[nH]c3ccc(C(=O)NO)cc3c2C1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 3/20 0.77
HTR1A P08908 2/20 0.77
HTR1D P28221 1/20 0.77
DRD2 P14416 1/20 0.67
DRD4 P21917 1/20 0.67
HTR1E P28566 1/20 0.67
HTR7 P34969 1/20 0.67
OPRM1 P35372 1/20 0.67
TMEM97 Q5BJF2 1/20 0.67
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
RAB9A P51151 1/20 0.51
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTR1F P30939 1/20 0.48
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL2356044 1.00 HTR1B (0.77) HTR1BHTR1AHTR1DDRD2DRD4
SCHEMBL3791546 1.00 HTR1B (0.77) HTR1BHTR1AHTR1DDRD2DRD4
Bromide SCHEMBL9270717 0.99 HTR1B (0.76) HTR1BHTR1AHTR1DDRD2DRD4
Hydrochloric Acid SCHEMBL7744322 0.99 HTR1B (0.76) HTR1BHTR1AHTR1DDRD2DRD4
SCHEMBL9260550 0.96 HTR1B (0.71) HTR1BHTR1AHTR1DDRD2DRD4
Succinic Acid SCHEMBL7109541 0.94 HTR1B (0.78) HTR1BHTR1AHTR1DDRD2DRD4
Succinic Acid SCHEMBL7748928 0.94 HTR1B (0.78) HTR1BHTR1AHTR1DDRD2DRD4
Succinic Acid SCHEMBL3801747 0.93 HTR1B (0.80) HTR1BHTR1AHTR1DDRD2DRD4
SCHEMBL9333527 0.89 HTR1B (0.61) HTR1BHTR1AHTR1DDRD2DRD4
Pidolic Acid SCHEMBL9270714 0.88 HTR1B (0.62) HTR1BHTR1AHTR1DDRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1104292-A2 TREATMENT OF VASODILATORY HEADACHE Vernalis Limited (GB) 2001-06-06 EP claimed
WO-2000009099-A2 TREATMENT OF VASODILATORY HEADACHE VERNALIS LIMITED (GB) 2000-02-24 WO claimed
WO-1999022730-A1 USE OF (+)-6-CARBOXAMIDO-3-METHYLAMINO-1,2,3,4-TETRAHYDROCARBAZOLE FOR TREATING HYPERALGESIA VANGUARD MEDICA LIMITED (GB) 1999-05-14 WO claimed
EP-0674621-A1 ENANTIOMERS OF CARBAZOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-04 EP claimed
WO-1994014772-A1 ENANTIOMERS OF CARBAZOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 WO claimed
EP-0591280-A1 USE OF TETRAHYDROCARBAZOLE DERIVATIVES AS 5HT1-RECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-04-13 EP claimed
WO-1993000086-A1 USE OF TETRAHYDROCARBAZONE DERIVATIVES AS 5HT1 RECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-01-07 WO claimed
WO-2012147020-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF FROVATRIPTAN ORCHID CHEMICALS AND PHARAMCEUTICALS LIMITED (IN) 2012-11-01 WO disclosed
WO-2010073253-A1 METHOD FOR PREPARING AN OPTICALLY ACTIVE FROVATRIPTAN NATCO PHARMA LIMITED (IN) 2010-07-01 WO disclosed
EP-0674621-B1 ENANTIOMERS OF CARBAZOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS VERNALIS LTD (GB) 2003-02-26 EP disclosed
WO-2002094243-A1 DELIVERY OF SUMATRIPTAN, FROVATRIPTAN OR NARATRIPTAN THROUGH AN INHALATION ROUTE ALEXZA MOLECULAR DELIVERY CORPORATION (US) 2002-11-28 WO disclosed
EP-1104292-A2 TREATMENT OF VASODILATORY HEADACHE Vernalis Limited (GB) 2001-06-06 EP disclosed
WO-2000009099-A2 TREATMENT OF VASODILATORY HEADACHE VERNALIS LIMITED (GB) 2000-02-24 WO 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
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