SCHEMBL2804898

SCHEMBL2804898

CC(C)N1CCN(c2ncnc3c4c(sc23)CCCC4)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
DRD2 P14416 1/20 0.43
ADRB1 P08588 1/20 0.42
CHRM4 P08173 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 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
SCHEMBL604523 0.86 HRH4 (0.54) HTTDRD2ADRB1CHRM4KMT2A
SCHEMBL605467 0.81 DRD2 (0.64) HTTDRD2ADRB1CHRM4KMT2A
SCHEMBL601988 0.79 ADRB1 (0.49) ADRB1KMT2AMEN1HRH4
SCHEMBL2803731 0.78 KMT2A (0.53) HTTDRD2ADRB1KMT2AMEN1
SCHEMBL4119266 0.75 KIT (0.47) HTTKMT2AMEN1KDM4EMAPT
SCHEMBL15387694 0.74 AKT1 (0.44) HTTDRD2ADRB1CHRM4KDM4E
SCHEMBL2804859 0.74 HRH4 (0.47) HRH4
SCHEMBL9883819 0.74 HRH4 (0.47) HRH4
Trifluoroacetic Acid SCHEMBL9101409 0.71 ADRB1 (0.41) ADRB1KMT2AMEN1KDM4EMAPT
SCHEMBL30808079 0.68 LIMK1 (0.57) MAPT

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-2200595-A2 THIENO-AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR Janssen Pharmaceutica, N.V. (BE) 2010-06-30 EP claimed
WO-2009038673-A2 THIENO-AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-26 WO claimed