SCHEMBL5319425

SCHEMBL5319425

COc1ccc(NC(=O)c2ccc(-c3ccc(-c4nnc(C)o4)cc3C)cc2)cc1N1CCN(C)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 10/20 1.00
MAPK14 Q16539 4/20 0.88
LCK P06239 2/20 0.88
SLC6A4 P31645 5/20 0.83
HTR1B P28222 3/20 0.74
MEN1 O00255 2/20 0.74
MAPT P10636 2/20 0.74
KMT2A Q03164 2/20 0.74
TDP1 Q9NUW8 2/20 0.74
HTR1A P08908 2/20 0.74
HTR2A P28223 2/20 0.74
HTR3E A5X5Y0 1/20 0.74
HTR3B O95264 1/20 0.74
TP53 P04637 1/20 0.74
CYP3A4 P08684 1/20 0.74
CYP2D6 P10635 1/20 0.74
CYP2C9 P11712 1/20 0.74
TSHR P16473 1/20 0.74
NFKB1 P19838 1/20 0.74
HTR2C P28335 1/20 0.74

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
SCHEMBL6485976 0.93 MAPK14 (1.00) HTR1DMAPK14LCKSLC6A4HTR1B
SCHEMBL7795174 0.92 HTR1D (0.85) HTR1DMAPK14LCKSLC6A4HTR1B
SCHEMBL7801646 0.91 HTR1D (0.87) HTR1DMAPK14LCKSLC6A4HTR1B
SCHEMBL7880723 0.89 HTR1D (1.00) HTR1DMAPK14LCKSLC6A4HTR1B
SCHEMBL7795200 0.88 HTR1D (0.83) HTR1DMAPK14LCKSLC6A4HTR1B
SCHEMBL7801558 0.88 HTR1D (0.78) HTR1DMAPK14LCKSLC6A4HTR1B
SCHEMBL9435227 0.88 HTR1D (0.78) HTR1DMAPK14LCKSLC6A4HTR1B
SCHEMBL7795214 0.86 HTR1D (0.78) HTR1DMAPK14LCKSLC6A4HTR1B
SCHEMBL9435224 0.86 HTR1D (0.76) HTR1DMAPK14LCKSLC6A4HTR1B
Gr-127935 SCHEMBL29462286 0.85 HTR1D (1.00) HTR1DMAPK14LCKSLC6A4HTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0533268-B1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LTD (GB) 2001-08-16 EP claimed
EP-0533268-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 EP claimed
WO-2007077457-A9 TREATMENT OF EQUINE LAMINITIS WITH 5-HT1B/ 1D ANTAGONISTS ROYAL VETERINARY COLLEGE (GB) 2007-10-18 WO disclosed
EP-0533268-B1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LTD (GB) 2001-08-16 EP disclosed
US-5510350-A USEFUL IN TREATMENT OR PROPHYLAXIS OF DEPRESSION AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS GLAXO GROUP LIMITED (GB) 1996-04-23 US disclosed
US-5340810-A Useful in the treatment and prophylaxis of depression and other disorders of the central nervous system GLAXO GROUP LIMITED (GB) 1994-08-23 US disclosed
EP-0533268-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 EP disclosed