SCHEMBL8962729

SCHEMBL8962729

Cc1[nH]cnc1CN(C)C(=O)c1cn(C)c2c(F)cccc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
PCSK9 Q8NBP7 1/20 0.40
GABRR1 P24046 1/20 0.34
ROCK1 Q13464 1/20 0.34
TNFSF11 O14788 1/20 0.34
PARP1 P09874 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
EED O75530 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
Fumaric Acid SCHEMBL7273886 0.94 HTR3E (0.42) HTR3AHTR3EHTR3BHTR3DHTR3C
Maleic Acid SCHEMBL7273875 0.94 HTR3E (0.42) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7267047 0.83 HTR3A (0.66) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9681702 0.77 MTNR1A (0.41) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9730191 0.76 HTR3A (0.37) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL9730401 0.75 HTR3A (0.38) HTR3AHTR3EHTR3BHTR3DHTR3C
Cadaverine Tartrate SCHEMBL7429503 0.74 MTNR1A (0.37) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7286830 0.70 HTR3A (0.72) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7277463 0.70 HTR3A (0.54) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7267311 0.70 HTR3A (0.62) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5530008-A USEFUL FOR TREATING ANXIETY DISORDER AND AGORAPHOBIA SANDOZ LTD. (CH) 1996-06-25 US claimed
EP-0422154-B1 THERAPEUTIC USE OF 5-HT3 RECEPTOR ANTAGONISTS SANDOZ AG (AT) 1993-12-01 EP claimed
JP-2104585-A None JP disclosed
US-5530008-A USEFUL FOR TREATING ANXIETY DISORDER AND AGORAPHOBIA SANDOZ LTD. (CH) 1996-06-25 US disclosed
EP-0422154-B1 THERAPEUTIC USE OF 5-HT3 RECEPTOR ANTAGONISTS SANDOZ AG (AT) 1993-12-01 EP disclosed
US-5026722-A Antagonists of 5-hydroxytryptamine GLAXO GROUP LIMITED (GB) 1991-06-25 US disclosed
EP-0422154-A1 THERAPEUTIC USE OF 5-HT3 RECEPTOR ANTAGONISTS. SANDOZ AG (AT) 1991-04-17 EP disclosed
WO-1990012569-A1 THERAPEUTIC USE OF 5-HT3 RECEPTOR ANTAGONISTS SANDOZ AG (CH) 1990-11-01 WO disclosed
JP-H02104585-A INDOLE DERIVATIVE GLAXO GROUP LTD 1990-04-17 JP disclosed