SCHEMBL601384

SCHEMBL601384

CN1C2CCC1CC(NC(=O)c1nc3cc(F)ccc3[nH]1)C2

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 7/20 0.49
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HTR3E A5X5Y0 2/20 0.44
▸ HTR3B O95264 2/20 0.44
▸ HTR3D Q70Z44 2/20 0.44
▸ HTR3C Q8WXA8 2/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44

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
SCHEMBL13914877 1.00 HTR3A (0.49) HTR3AMEN1KMT2AHTR3EHTR3B
SCHEMBL602018 0.88 HTR3E (0.47) HTR3AMEN1KMT2AHTR3EHTR3B
SCHEMBL602548 0.87 HRH4 (0.50) HTR3AMEN1KMT2AHTR3EHTR3B
SCHEMBL602081 0.84 SMYD3 (0.58) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL605257 0.83 MEN1 (0.46) HTR3AMEN1KMT2AHTR3EHTR3B
SCHEMBL2088104 0.76 DYRK1A (0.69) HTR3AGSK3BDYRK1A
SCHEMBL605537 0.75 HTR3E (0.53) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL13914873 0.75 HTR3E (0.53) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7506894 0.72 DYRK1A (0.64) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7364907 0.72 DYRK1A (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120039913-A1 Selective Histamine H4 Receptor Antagonists for the Treatment of Vestibular Disorders INSERM (institut National de la Sante de la Recher Medicale) (FR) 2012-02-16 — — US disclosed
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