SCHEMBL18290331

SCHEMBL18290331

CN(CCN)CCNc1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.40
F2 P00734 3/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
PRMT8 Q9NR22 1/20 0.37
FDPS P14324 1/20 0.37
BCHE P06276 1/20 0.36
CTSD P07339 1/20 0.34
LOXL2 Q9Y4K0 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PRKCH P24723 1/20 0.34
PRKCE Q02156 1/20 0.34
PRKCQ Q04759 1/20 0.34
PRKCD Q05655 1/20 0.34
KCNH2 Q12809 1/20 0.33
GRIN2B Q13224 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAD52 P43351 1/20 0.32
CHRM5 P08912 1/20 0.32
CHKA P35790 1/20 0.32

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
SCHEMBL6032869 0.80 CYP2C19 (0.50) F2BCHECTSDHRH3CYP2C19
SCHEMBL1678422 0.77 ADRA2B (0.49) ADRA2BF2FDPSCTSDLOXL2
SCHEMBL23015247 0.74 KDM4C (0.47) ADRA2BF2FDPSCTSDLOXL2
SCHEMBL5157848 0.72 APP (0.44) HRH3CYP2C19
Hydrochloric Acid SCHEMBL5456304 0.71 APP (0.43) HRH3CYP2C19
SCHEMBL27371676 0.69 LMNA (0.43) F2CARM1PRMT6PRMT8LOXL2
SCHEMBL14985489 0.69 CTSD (0.46) ADRA2BF2FDPSBCHECTSD
SCHEMBL7054279 0.69 LIMK1 (0.51) ADRA2BF2FDPSCTSDKCNH2
SCHEMBL19361365 0.68 MAPT (0.38)
SCHEMBL31041802 0.67 CA1 (0.36) CARM1PRMT6PRMT8HRH3CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016196393-A2 AUTOPHAGY-INHIBITING COMPOUNDS AND USES THEREOF PRESAGE BIOSCIENCES, INC. (US) 2016-12-08 WO disclosed