SCHEMBL603813

SCHEMBL603813

Nc1nc(CC2CC2)cc(N2CCCNCC2)n1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 11/20 0.62
HRH3 Q9Y5N1 5/20 0.55
CASP1 P29466 1/20 0.46
CASP4 P49662 1/20 0.46
CASP5 P51878 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR6 P50406 1/20 0.44
KCNH2 Q12809 1/20 0.44
NUDT1 P36639 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL602866 0.95 HRH4 (0.60) HRH4HRH3CASP1CASP4CASP5
SCHEMBL604533 0.80 HRH4 (0.60) HRH4HRH3
SCHEMBL1617190 0.80 HRH4 (0.62) HRH4HRH3CASP1CASP4CASP5
SCHEMBL601883 0.79 HRH4 (0.55) HRH4HRH3CASP1CASP4CASP5
SCHEMBL605919 0.79 HRH4 (0.50) HRH4HRH3KCNH2
SCHEMBL604805 0.79 HRH4 (0.50) HRH4HRH3KCNH2
SCHEMBL604804 0.79 HRH4 (0.50) HRH4HRH3KCNH2
SCHEMBL7777439 0.78 HRH4 (0.78) HRH4HRH3CASP1CASP4CASP5
SCHEMBL603814 0.77 HRH4 (0.48) HRH4HRH3
SCHEMBL1617788 0.76 HRH4 (0.66) HRH4HRH3CASP1CASP4CASP5

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-9526725-B2 Selective histamine H4 receptor antagonists for the treatment of vestibular disorders INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2016-12-27 US disclosed
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
WO-2010072829-A1 SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS. INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2010-07-01 WO disclosed