SCHEMBL2567744

SCHEMBL2567744

CN(C)CCNc1cc(NC2CCCCC2)nc(N)n1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM2 P50570 7/20 0.64
NUDT1 P36639 2/20 0.62
HRH3 Q9Y5N1 1/20 0.48
HRH4 Q9H3N8 4/20 0.47
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AURKA O14965 1/20 0.40
PDPK1 O15530 1/20 0.40
TGFBR1 P36897 1/20 0.40
ROCK1 Q13464 1/20 0.40
AURKB Q96GD4 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
SCHEMBL3187610 0.77 HRH3 (0.43) DNM2NUDT1HRH3HRH4
SCHEMBL3187602 0.77 HRH3 (0.43) DNM2NUDT1HRH3HRH4
SCHEMBL14233966 0.74 NUDT1 (0.71) DNM2NUDT1HRH4MEN1KMT2A
SCHEMBL12605112 0.73 HRH3 (0.54) DNM2NUDT1HRH3HRH4
SCHEMBL3209288 0.73 CYP2D6 (0.64) DNM2HRH3HRH4KMT2ACYP2D6
SCHEMBL16711168 0.71 NUDT1 (0.67) NUDT1HRH4MEN1KMT2AABL1
SCHEMBL1318447 0.71 NUDT1 (0.67) NUDT1HRH4MEN1KMT2AABL1
SCHEMBL2168204 0.71 HRH3 (0.54) DNM2HRH3HRH4CYP2D6
SCHEMBL1316806 0.69 NUDT1 (0.64) NUDT1HRH4MEN1KMT2AABL1
SCHEMBL604655 0.68 HRH3 (0.45) DNM2HRH3HRH4

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