SCHEMBL7918548

SCHEMBL7918548

COc1cc(N)c(Cl)cc1C(=O)NCC1CN2CCC1CC2

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.69
HTR3E A5X5Y0 3/20 0.69
HTR3B O95264 3/20 0.69
HTR3D Q70Z44 3/20 0.69
HTR3C Q8WXA8 3/20 0.69
HTR5A P47898 1/20 0.69
MEN1 O00255 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
KMT2A Q03164 1/20 0.69
DRD2 P14416 3/20 0.67
HTR4 Q13639 2/20 0.67
MAPK1 P28482 1/20 0.67
DRD4 P21917 2/20 0.62
DRD3 P35462 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62

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
SCHEMBL28728953 0.90 HTR3A (0.67) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL10521605 0.85 DRD2 (0.64) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7436348 0.82 HTR4 (0.63) HTR3AHTR3EHTR3BHTR3DHTR3C
Zacopride SCHEMBL29567897 0.82 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
Zacopride SCHEMBL16003 0.82 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
(R)Zacopride SCHEMBL5387843 0.82 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
Zacopride SCHEMBL5373467 0.82 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL8870896 0.81 HTR4 (0.62) HTR3AHTR3EHTR3BHTR3DHTR3C
Zacopride SCHEMBL7280994 0.81 MAPK1 (0.98) HTR3AHTR3EHTR3BHTR3DHTR3C
Zacopride SCHEMBL667580 0.81 MAPK1 (0.98) HTR3AHTR3EHTR3BHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4853376-A Benzamides and benzoates having anti-emetic activity BEECHAM GROUP, P.L.C. (GB) 1989-08-01 US claimed
EP-0221702-A2 Quinolidine derivatives BEECHAM GROUP PLC (GB) 1987-05-13 EP claimed
US-6221878-B1 ANTAGONISTS OF 5-HYDROXYTRYPTAMINE (5-HT) AT 5-HT3 RECEPTORS GLAXO GROUP LIMITED (GB) 2001-04-24 US disclosed
US-5420139-A Administering 4-amino-N-1-azabicyclo(2.2.2)oct-3-yl-5-chloro-2-methoxybenzamide GLAXO GROUP LIMITED (GB) 1995-05-30 US disclosed
US-5330982-A Promote gastric emptying GLAXO GROUP LIMITED (GB) 1994-07-19 US disclosed
US-5298510-A Relief of side effects resulting from drug withdrawal, treatment of addiction, indole derivatives GLAXO GROUP LIMITED (GB) 1994-03-29 US disclosed
US-5246941-A Serotonin antagonist GLAXO GROUP LIMITED (GB) 1993-09-21 US disclosed
US-5244909-A Methods for the treatment of cognitive disorders GLAXO GROUP LIMITED (GB) 1993-09-14 US disclosed
US-5200414-A Adiminstering endo-N-(8-methyl-8-azabicyclooct-3-yl)-2,3-dihydro-3,3-dimethyl-indole-1 -carboxamide as a 5-hydroxytrypt-amine antagonist GLAXO GROUP LIMITED (GB) 1993-04-06 US disclosed
US-5198447-A Aid for withdrawal from drugs, alcohol, cigarettes GLAXO GROUP LIMITED (GB) 1993-03-30 US disclosed
US-5190954-A 5-Hydroxytryptamine Antagonists GLAXO GROUP LIMITED (GB) 1993-03-02 US disclosed
US-5071854-A Hydroxytryptamine antagonists GLAXO GROUP LIMITED (GB) 1991-12-10 US disclosed
US-4985437-A 5-HYDROXYTRYPTAMINE ANTAGONISTS, COGNITION ACTIVATORS GLAXO GROUP LIMITED (GB) 1991-01-15 US disclosed
US-4973594-A TREATMENT OF DEPRESSION GLAXO GROUP LIMITED (GB) 1990-11-27 US disclosed
US-4948803-A USING AZABICYCLOINDAZOLE-3-CARBOXAMIDES GLAXO GROUP LIMITED (GB) 1990-08-14 US disclosed
US-4853376-A Benzamides and benzoates having anti-emetic activity BEECHAM GROUP, P.L.C. (GB) 1989-08-01 US disclosed
EP-0221702-A2 Quinolidine derivatives BEECHAM GROUP PLC (GB) 1987-05-13 EP disclosed