SCHEMBL602548

SCHEMBL602548

CN1C2CCC1CC(NC(=O)c1nc3cc(F)c(F)cc3[nH]1)C2

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.50
▸ HRH3 Q9Y5N1 2/20 0.50
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HTR3A P46098 5/20 0.43
▸ HTR3E A5X5Y0 4/20 0.43
▸ HTR3B O95264 4/20 0.43
▸ HTR3D Q70Z44 4/20 0.43
▸ HTR3C Q8WXA8 4/20 0.43

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
SCHEMBL605257 0.91 MEN1 (0.46) HRH4HRH3MEN1KMT2AHTR3A
SCHEMBL13914877 0.87 HTR3A (0.49) MEN1KMT2AHTR3AHTR3EHTR3B
SCHEMBL601384 0.87 HTR3A (0.49) MEN1KMT2AHTR3AHTR3EHTR3B
SCHEMBL602018 0.83 HTR3E (0.47) MEN1KMT2AHTR3AHTR3EHTR3B
SCHEMBL602081 0.81 SMYD3 (0.58) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL605537 0.74 HTR3E (0.53) HRH4HTR3AHTR3EHTR3BHTR3D
SCHEMBL13914873 0.74 HTR3E (0.53) HRH4HTR3AHTR3EHTR3BHTR3D
SCHEMBL3533984 0.68 GAA (0.68) MEN1KMT2AHTR3AHTR3EHTR3B
SCHEMBL5510194 0.68 HRH4 (0.51) HRH4HRH3
SCHEMBL603872 0.67 HRH4 (0.73) HRH4HRH3MEN1KMT2A

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 4 patents. 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
EP-2382013-A1 SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS. INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2011-11-02 — — EP disclosed
US-7504426-B2 Heterocyclic compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-17 — — US disclosed
US-7504426-B2 Heterocyclic compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-17 — — US disclosed
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