SCHEMBL7801017

SCHEMBL7801017

Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc(Cl)c(N5CCN(C)CC5)c4)cc3)c(C)c2)no1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 14/20 0.83
HTR1B P28222 8/20 0.79
HTR2A P28223 7/20 0.79
SLC6A4 P31645 6/20 0.79
MEN1 O00255 3/20 0.79
MAPT P10636 3/20 0.79
KMT2A Q03164 3/20 0.79
TDP1 Q9NUW8 3/20 0.79
HTR1A P08908 2/20 0.79
TP53 P04637 2/20 0.79
CYP3A4 P08684 2/20 0.79
CYP2D6 P10635 2/20 0.79
MAPK1 P28482 2/20 0.79
HSD17B10 Q99714 2/20 0.79
HTR2C P28335 2/20 0.79
HTR3E A5X5Y0 1/20 0.79
HTR3B O95264 1/20 0.79
CYP2C9 P11712 1/20 0.79
TSHR P16473 1/20 0.79
NFKB1 P19838 1/20 0.79

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
SCHEMBL7801411 0.91 HTR1D (1.00) HTR1DHTR1BHTR2ASLC6A4MEN1
SCHEMBL7801056 0.90 HTR1D (0.83) HTR1DHTR1BHTR2ASLC6A4MEN1
Gr-127935 SCHEMBL29462286 0.88 HTR1D (1.00) HTR1DHTR1BHTR2ASLC6A4MEN1
Gr-127935 SCHEMBL7795263 0.88 HTR1D (1.00) HTR1DHTR1BHTR2ASLC6A4MEN1
Gr-127935 SCHEMBL29657121 0.88 MEN1 (1.00) HTR1DHTR1BHTR2ASLC6A4MEN1
Gr-127935 SCHEMBL6017123 0.88 MEN1 (1.00) HTR1DHTR1BHTR2ASLC6A4MEN1
SCHEMBL7795200 0.85 HTR1D (0.83) HTR1DHTR1BHTR2ASLC6A4MEN1
SCHEMBL9052520 0.84 HTR1D (0.73) HTR1DHTR1BHTR2ASLC6A4MEN1
SCHEMBL9050506 0.84 HTR1D (0.73) HTR1DHTR1BHTR2ASLC6A4MEN1
SCHEMBL7795147 0.83 HTR1D (0.91) HTR1DHTR1BHTR2ASLC6A4MEN1

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 6 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
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