SCHEMBL8805352

SCHEMBL8805352

CN(Cc1cccnc1)c1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.59
CHRNA4 P43681 2/20 0.59
LMNA P02545 3/20 0.55
ALDH1A1 P00352 3/20 0.55
CYP2D6 P10635 2/20 0.49
CYP1A2 P05177 1/20 0.49
OPRK1 P41145 2/20 0.48
CHRM2 P08172 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
DRD1 P21728 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2A P28223 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
HRH1 P35367 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KCNH2 Q12809 1/20 0.48
CHRNA7 P36544 1/20 0.47

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
SCHEMBL15131433 0.85 HIF1A (0.46) CHRNB2CHRNA4LMNAALDH1A1CYP2D6
SCHEMBL4747138 0.84 CHRM2 (0.63) LMNAALDH1A1CYP2D6CYP1A2OPRK1
SCHEMBL12888668 0.83 CHRNB2 (0.67) CHRNB2CHRNA4LMNAALDH1A1CYP2D6
SCHEMBL5247888 0.77 POLB (0.53) CHRNB2CHRNA4LMNAALDH1A1CYP2D6
SCHEMBL14220155 0.77 MEN1 (0.56) LMNAALDH1A1CYP2D6CYP1A2OPRK1
SCHEMBL11767989 0.76 CYP2D6 (0.46) CHRNB2CHRNA4LMNAALDH1A1CYP2D6
SCHEMBL9447012 0.75 HIF1A (0.49) LMNAALDH1A1CYP2D6CYP1A2OPRK1
SCHEMBL6184529 0.75 HIF1A (0.49) LMNAALDH1A1CYP2D6CYP1A2OPRK1
SCHEMBL3460939 0.75 CHRNB2 (1.00) CHRNB2CHRNA4LMNAALDH1A1CYP2D6
SCHEMBL30632262 0.75 CHRNB2 (1.00) CHRNB2CHRNA4LMNAALDH1A1CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0625507-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-07-23 EP disclosed
US-5621010-A ANTIHYPERCHOLESTEROLEMIA AND ANTIATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-04-15 US disclosed
EP-0625507-A2 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1994-11-23 EP disclosed