SCHEMBL2568568

SCHEMBL2568568

CN1CCN(c2ccnc(NC34CC5CC(CC(C5)C3)C4)n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 12/20 0.59
HRH3 Q9Y5N1 5/20 0.56
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
SLC6A2 P23975 1/20 0.50
HRH2 P25021 1/20 0.50
HTR1D P28221 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR7 P34969 1/20 0.50
HTR2B P41595 1/20 0.50
HTR5A P47898 1/20 0.50
HTR6 P50406 1/20 0.50
SLC6A3 Q01959 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
OGA O60502 1/20 0.45
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 3/20 0.42
HSD17B10 Q99714 3/20 0.42

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
SCHEMBL3992996 0.79 HRH4 (0.57) HRH4HRH3HTR6HSD17B10TSHR
SCHEMBL15360086 0.76 HRH4 (0.70) HRH4HRH3ADRA2BADRA2CSLC6A2
SCHEMBL7994849 0.75 EPHX2 (0.50) ALDH1A1HSD17B10TSHR
SCHEMBL19506859 0.74 HRH4 (0.56) HRH4SIGMAR1
SCHEMBL848216 0.74 HRH4 (0.56) HRH4SIGMAR1
SCHEMBL1589120 0.74 HRH4 (0.89) HRH4HRH3ADRA2BADRA2CSLC6A2
SCHEMBL19233159 0.74 HRH4 (1.00) HRH4HRH3ADRA2BADRA2CSLC6A2
SCHEMBL1588422 0.74 HRH4 (1.00) HRH4HRH3ADRA2BADRA2CSLC6A2
Hydrochloric Acid SCHEMBL7984877 0.74 EPHX2 (0.49) ALDH1A1HSD17B10TSHR
SCHEMBL1588697 0.72 HRH4 (1.00) HRH4HRH3ADRA2BADRA2CSLC6A2

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
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