SCHEMBL8530386

SCHEMBL8530386

CCOC(=O)c1ccc2[nH]c3c(c2c1)CC(NC(=O)OC(C)(C)C)CC3

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
KDM4E B2RXH2 3/20 0.54
ALOX15 P16050 2/20 0.54
HSD17B10 Q99714 2/20 0.54
MAPK1 P28482 2/20 0.54
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
HTR1A P08908 2/20 0.53
HTR1B P28222 2/20 0.53
HTR1D P28221 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50

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
SCHEMBL8531461 0.87 KMT2A (0.62) KMT2AMEN1HSD17B10ALDH1A1POLB
SCHEMBL7102071 0.85 HTR1B (0.56) KMT2AMEN1RAB9AALDH1A1HTR1A
SCHEMBL12637107 0.82 HTR1A (0.51) KMT2AMEN1HTR1AHTR1BHTR1D
SCHEMBL14624292 0.82 HTR1B (0.53) KMT2AMEN1HTR1AHTR1BHTR1D
SCHEMBL1899834 0.82 HTR1A (0.51) KMT2AMEN1HTR1AHTR1BHTR1D
SCHEMBL6530651 0.82 HTR1A (0.51) KMT2AMEN1HTR1AHTR1BHTR1D
SCHEMBL1899835 0.82 HTR1A (0.51) KMT2AMEN1HTR1AHTR1BHTR1D
SCHEMBL1903598 0.82 HTR1A (0.51) KMT2AMEN1HTR1AHTR1BHTR1D
SCHEMBL24408396 0.81 HTR1B (0.57) KMT2AMEN1ALOX15HSD17B10HTR1A
SCHEMBL8527422 0.81 HTR1A (0.49) KMT2AMEN1HTR1AHTR1BHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1034072-C Medicaments SMITHKLINE BEECHAM PLC (GB) 1997-02-19 CN 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
EP-0591280-A1 USE OF TETRAHYDROCARBAZOLE DERIVATIVES AS 5HT1-RECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-04-13 EP disclosed
CN-1069726-A The preparation method of compounds SMITHKLINE BEECHAM PLC (GB) 1993-03-10 CN disclosed
WO-1993000086-A1 USE OF TETRAHYDROCARBAZONE DERIVATIVES AS 5HT1 RECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-01-07 WO disclosed