SCHEMBL8645232

SCHEMBL8645232

CS(=O)(=O)Nc1ccc2[nH]c3c(c2c1)CC(N)CC3

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.58
HTR1B P28222 5/20 0.58
HTR1D P28221 4/20 0.58
NR2E1 Q9Y466 1/20 0.53
EGFR P00533 1/20 0.45
IGF1R P08069 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
HTR1A P08908 1/20 0.45
HTR1F P30939 1/20 0.44
MAPT P10636 7/20 0.43
TP53 P04637 5/20 0.43
LMNA P02545 5/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CHEK1 O14757 1/20 0.42
PRKD3 O94806 1/20 0.42
CDK8 P49336 1/20 0.42
LIMK1 P53667 1/20 0.42
ROCK1 Q13464 1/20 0.42

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
Oxalic Acid SCHEMBL7540979 0.94 HTR1B (0.57) HTR6HTR1BHTR1DNR2E1EGFR
SCHEMBL9336211 0.81 HTR1B (0.63) HTR6HTR1BHTR1DNR2E1EGFR
SCHEMBL2321122 0.81 HTR1B (0.59) HTR6HTR1BHTR1DNR2E1EGFR
SCHEMBL8643978 0.81 MAPT (0.56) HTR6HTR1BHTR1DNR2E1EGFR
SCHEMBL8643056 0.80 EGFR (0.44) HTR6HTR1BHTR1DNR2E1EGFR
Hydrochloric Acid SCHEMBL7026693 0.80 HTR1B (0.58) HTR6HTR1BHTR1DNR2E1EGFR
Oxalic Acid SCHEMBL7540871 0.78 HTR1B (0.60) HTR6HTR1BHTR1DNR2E1EGFR
SCHEMBL8531274 0.78 HTR6 (0.41) HTR6HTR1BHTR1DHTR1AHTR1F
SCHEMBL9334201 0.77 HTR1B (0.69) HTR6HTR1BHTR1DNR2E1EGFR
Oxalic Acid SCHEMBL8648619 0.77 HTR1B (0.43) HTR6HTR1BHTR1DNR2E1EGFR

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-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 claimed
EP-0591280-B1 USE OF TETRAHYDROCARBAZOLE DERIVATIVES AS 5HT1-RECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-09-09 EP claimed
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 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