SCHEMBL9089296

SCHEMBL9089296

COc1cc(F)c(NC(=O)c2ccc(Br)c(C)c2)cc1N1CCN(C)CC1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 5/20 0.71
HTR1B P28222 3/20 0.71
HTR2A P28223 3/20 0.71
WDR5 P61964 8/20 0.55
TMPRSS2 O15393 1/20 0.47
SLC6A4 P31645 1/20 0.47
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL9332320 0.83 HTR1D (0.56) HTR1DHTR1BHTR2AWDR5TMPRSS2
SCHEMBL7803371 0.83 HTR1D (1.00) HTR1DHTR1BHTR2ATMPRSS2SLC6A4
SCHEMBL8985970 0.81 HTR1D (0.92) HTR1DHTR1BHTR2ATMPRSS2SLC6A4
SCHEMBL7803385 0.79 HTR1D (0.69) HTR1DHTR1BHTR2AWDR5TMPRSS2
SCHEMBL9301036 0.79 HTR1D (0.82) HTR1DHTR1BHTR2AWDR5TMPRSS2
SCHEMBL8302847 0.74 HTR1D (0.59) HTR1DHTR1BHTR2A
SCHEMBL6817232 0.74 HTR1D (0.67) HTR1DHTR1BHTR2ATMPRSS2SLC6A4
SCHEMBL20605156 0.74 WDR5 (0.70) HTR1DHTR1BHTR2AWDR5
SCHEMBL9034453 0.73 HTR1D (0.79) HTR1DHTR1BHTR2ATMPRSS2SLC6A4
SCHEMBL8400880 0.73 HTR1D (0.79) HTR1DHTR1BHTR2ANPC1RAB9A

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
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-5358948-A Psychological, nervous system disorders GLAXCO GROUP LIMITED (GB) 1994-10-25 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
WO-1993006084-A1 BENZANILIDE DERIVATIVES AS 5-HT1D ANTAGONISTS GLAXO GROUP LIMITED (GB) 1993-04-01 WO disclosed
EP-0533267-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 EP disclosed
EP-0533268-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 EP disclosed