SCHEMBL604790

SCHEMBL604790

Nc1nc(N)c2oc3c(C4CCNC4)cccc3c2n1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.37
PARP1 P09874 1/20 0.34
IKBKB O14920 1/20 0.33
MPO P05164 1/20 0.32
DHFR P00374 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
SCHEMBL604400 0.71 HRH4 (0.46) HRH4
SCHEMBL8878356 0.67 MTNR1A (0.53)
Hydrochloric Acid SCHEMBL32673083 0.66 MTNR1A (0.51)
SCHEMBL28261884 0.65 HRH4 (0.44) HRH4PARP1IKBKBMPO
SCHEMBL28261886 0.65 HRH4 (0.44) HRH4PARP1IKBKBMPO
SCHEMBL9842899 0.65 HTR1A (0.46)
SCHEMBL4001085 0.65 HRH4 (0.39) HRH4DHFR
SCHEMBL13771839 0.64 LIMK1 (0.60) HRH4
SCHEMBL5839494 0.64 HTR2C (0.47)
SCHEMBL4985913 0.64 HRH4 (0.39) HRH4

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 2 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