SCHEMBL8527482

SCHEMBL8527482

CCOC(=O)c1ccc2[nH]c3c(c2c1)CC(N)CC3

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 5/20 0.69
KMT2A Q03164 4/20 0.68
MEN1 O00255 3/20 0.68
RAB9A P51151 2/20 0.68
NPC1 O15118 1/20 0.68
KDM4E B2RXH2 4/20 0.62
HSD17B10 Q99714 3/20 0.62
MAPK1 P28482 3/20 0.62
ALDH1A1 P00352 3/20 0.62
ALOX15 P16050 2/20 0.62
POLB P06746 2/20 0.62
HTR1D P28221 4/20 0.58
MAPT P10636 3/20 0.57
GAA P10253 1/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PLK4 O00444 1/20 0.54
DAPK3 O43293 1/20 0.54

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 SCHEMBL7543521 0.97 HTR1B (0.65) HTR1BKMT2AMEN1RAB9ANPC1
SCHEMBL4726479 0.86 KMT2A (0.67) HTR1BKMT2AMEN1RAB9ANPC1
SCHEMBL7409636 0.85 KMT2A (0.65) HTR1BKMT2AMEN1RAB9ANPC1
Oxalic Acid SCHEMBL8654818 0.84 KMT2A (0.72) HTR1BKMT2AMEN1RAB9ANPC1
SCHEMBL1200009 0.82 HTR1B (1.00) HTR1BKMT2AMEN1RAB9AKDM4E
SCHEMBL13152879 0.82 HTR1B (1.00) HTR1BKMT2AMEN1RAB9AKDM4E
SCHEMBL15281757 0.82 HTR1B (1.00) HTR1BKMT2AMEN1RAB9AKDM4E
SCHEMBL4780133 0.81 MEN1 (1.00) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL8530386 0.80 KMT2A (0.59) HTR1BKMT2AMEN1RAB9ANPC1
SCHEMBL2359775 0.79 HTR1B (0.76) HTR1BKMT2AMEN1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-5637611-A Medicaments SMITHKLINE BEECHAM P.L.C. (GB) 1997-06-10 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-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