SCHEMBL7801558

SCHEMBL7801558

COc1ccc(NC(=O)c2ccc(-c3ccc(-c4nnco4)cc3C)cc2)cc1N1CCN(C)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 11/20 0.78
SLC6A4 P31645 5/20 0.71
HTR1B P28222 4/20 0.71
HTR1A P08908 3/20 0.71
MEN1 O00255 2/20 0.71
MAPT P10636 2/20 0.71
KMT2A Q03164 2/20 0.71
TDP1 Q9NUW8 2/20 0.71
HTR2A P28223 2/20 0.71
HTR3E A5X5Y0 1/20 0.71
HTR3B O95264 1/20 0.71
TP53 P04637 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP2C9 P11712 1/20 0.71
TSHR P16473 1/20 0.71
NFKB1 P19838 1/20 0.71
HTR2C P28335 1/20 0.71
MAPK1 P28482 1/20 0.71
CYP2C19 P33261 1/20 0.71

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
SCHEMBL9563411 0.95 HTR1D (0.71) HTR1DSLC6A4HTR1BHTR1AMEN1
SCHEMBL5319425 0.88 HTR1D (1.00) HTR1DSLC6A4HTR1BHTR1AMEN1
SCHEMBL9435224 0.87 HTR1D (0.76) HTR1DSLC6A4HTR1BHTR1AMEN1
SCHEMBL9435227 0.85 HTR1D (0.78) HTR1DSLC6A4HTR1BHTR1AMEN1
SCHEMBL7795214 0.85 HTR1D (0.78) HTR1DSLC6A4HTR1BHTR1AMEN1
SCHEMBL9300606 0.84 HTR1D (0.86) HTR1DSLC6A4HTR1BHTR1AMEN1
SCHEMBL9089859 0.84 HTR1D (0.76) HTR1DSLC6A4HTR1BHTR1AMEN1
SCHEMBL9091365 0.84 HTR1D (0.84) HTR1DSLC6A4HTR1BHTR1AMEN1
SCHEMBL9301061 0.84 HTR1D (0.81) HTR1DSLC6A4HTR1BHTR1AMEN1
SCHEMBL9295861 0.83 LCK (0.59) HTR1DSLC6A4HTR1BHTR1AMEN1

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 3 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 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