SCHEMBL603634

SCHEMBL603634

CNC1CCCN1c1cc(N)nc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.39
DRD4 P21917 2/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
IKBKB O14920 1/20 0.34
MTOR P42345 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
S1PR2 O95136 1/20 0.33
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL606338 0.85 SCN9A (0.36) MEN1KMT2AMAPTNPSR1
SCHEMBL604008 0.83 MAPT (0.41) KDM4EMAPT
SCHEMBL606705 0.82 RAB9A (0.39) HRH4MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL603633 0.77 HRH4 (0.59) HRH4HRH3
SCHEMBL28012750 0.73 HRH4 (0.38) HRH4
SCHEMBL2795907 0.71 HRH4 (0.55) HRH4HRH3
SCHEMBL606585 0.71 HRH4 (0.64) HRH4MEN1KMT2AHRH3
SCHEMBL602802 0.71 HTR3A (0.45) HRH4DRD4DRD2DRD3SMN1; SMN2
SCHEMBL28894655 0.67 ACP1 (0.36) HRH4DRD4DRD2DRD3MTOR
SCHEMBL905234 0.67 CHRNB2 (0.44) MEN1KMT2AHTTALDH1A1

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-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