SCHEMBL2569183

SCHEMBL2569183

Nc1nc(C(F)(F)F)c2sc3c(c2n1)CCCC3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 2/20 0.36
RAB9A P51151 5/20 0.36
MAPT P10636 5/20 0.36
OPRK1 P41145 1/20 0.36
ADRB1 P08588 1/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
NPC1 O15118 4/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
CASP3 P42574 1/20 0.35
HTT P42858 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
NPY1R P25929 1/20 0.35

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
SCHEMBL2801970 0.78 RAB9A (0.40) BPTFRAB9AMAPTOPRK1ADRB1
SCHEMBL9884105 0.73 ADRB1 (0.53) MAPTADRB1ALDH1A1HSD17B10GAA
SCHEMBL2802211 0.71 ADRB1 (0.32) ADRB1
SCHEMBL601894 0.70 ADRB1 (0.44) BPTFRAB9AMAPTOPRK1ADRB1
Trifluoroacetic Acid SCHEMBL9103184 0.70 ADRB1 (0.38) MAPTADRB1ALDH1A1HSD17B10ADORA2A
SCHEMBL605650 0.69 ADRB1 (0.68) ADRB1
SCHEMBL602746 0.69 HRH4 (0.54) ADRB1
SCHEMBL603906 0.68 HRH4 (0.53) ADRB1
SCHEMBL9883827 0.66 HRH3 (0.51) ADRB1
SCHEMBL605648 0.66 ADRB1 (0.64) ADRB1

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