SCHEMBL7364907

SCHEMBL7364907

CN1C2CCCC1CC(NC(=O)c1n[nH]c3ccc(F)cc13)C2

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 11/20 0.64
GSK3B P49841 1/20 0.64
WNT1 P04628 3/20 0.56
HTR3A P46098 7/20 0.56
HTR3E A5X5Y0 1/20 0.52
SLC22A2 O15244 1/20 0.52
HTR3B O95264 1/20 0.52
CHRNB2 P17787 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA4 P43681 1/20 0.52
KCNH2 Q12809 1/20 0.52
HTR3D Q70Z44 1/20 0.52
HTR3C Q8WXA8 1/20 0.52
SLC47A1 Q96FL8 1/20 0.52
NTRK1 P04629 1/20 0.52

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
SCHEMBL7506894 1.00 DYRK1A (0.64) DYRK1AGSK3BWNT1HTR3AHTR3E
SCHEMBL2088104 0.96 DYRK1A (0.69) DYRK1AGSK3BWNT1HTR3ANTRK1
SCHEMBL2086136 0.88 DYRK1A (0.65) DYRK1AGSK3BWNT1HTR3AHTR3E
SCHEMBL2086924 0.88 DYRK1A (0.65) DYRK1AGSK3BWNT1HTR3AHTR3E
SCHEMBL2089776 0.88 DYRK1A (0.76) DYRK1AGSK3BWNT1
SCHEMBL7504335 0.88 DYRK1A (0.64) DYRK1AGSK3BWNT1HTR3AHTR3E
SCHEMBL2089886 0.88 DYRK1A (0.64) DYRK1AGSK3BWNT1HTR3AHTR3E
SCHEMBL7363034 0.88 DYRK1A (0.64) DYRK1AGSK3BWNT1HTR3AHTR3E
SCHEMBL2089883 0.88 DYRK1A (0.64) DYRK1AGSK3BWNT1HTR3AHTR3E
SCHEMBL2087708 0.86 HTR3A (0.68) DYRK1AGSK3BHTR3AHTR3ESLC22A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0498466-B1 Indazole-3-carboxamide and -3-carboxylic acid derivatives HOFFMANN LA ROCHE (CH) 2002-07-24 EP claimed
EP-0498466-A1 Indazole-3-carboxamide and -3-carboxylic acid derivatives BEECHAM GROUP PLC (GB) 1992-08-12 EP claimed
EP-0200444-A2 Azabicyclononyl-indazole-carboxamide having 5-HT antagonist activity BEECHAM GROUP PLC (GB) 1986-11-05 EP claimed
EP-0498466-B1 Indazole-3-carboxamide and -3-carboxylic acid derivatives HOFFMANN LA ROCHE (CH) 2002-07-24 EP disclosed
US-5034398-A Analgesics BEECHAM GROUP P.L.C. (GB) 1991-07-23 US disclosed
US-4886808-A Indazolyl carboxylic acid amides useful for treating migraine clusters headache, trigeminal neuralgia or emesis BEECHAM GROUP P.L.C. (GB) 1989-12-12 US disclosed
EP-0200444-A2 Azabicyclononyl-indazole-carboxamide having 5-HT antagonist activity BEECHAM GROUP PLC (GB) 1986-11-05 EP disclosed