SCHEMBL28628545

SCHEMBL28628545

C=CCN1CC(C)N=C1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.39
PRCP P42785 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.34
ALDH1A1 P00352 5/20 0.34
HSD17B10 Q99714 3/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
OPRM1 P35372 1/20 0.33
MYC P01106 1/20 0.33
ADORA2B P29275 1/20 0.33
TTR P02766 1/20 0.32
HTR2B P41595 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL28252209 0.77 L3MBTL1 (0.38) OPRD1PRCPL3MBTL1ALDH1A1HSD17B10
SCHEMBL28617084 0.75 BRD4 (0.37) ALDH1A1HPGDKMT2A
SCHEMBL28388144 0.72 PTAFR (0.31)
SCHEMBL8064992 0.69 L3MBTL1 (0.37) OPRD1L3MBTL1LMNAALDH1A1HSD17B10
SCHEMBL28623484 0.65 HPGD (0.40) LMNAALDH1A1HPGDKDM4E
SCHEMBL6684665 0.64 PRCP (0.45) OPRD1PRCPALDH1A1HSD17B10KDM4E
SCHEMBL9446993 0.61 BRD4 (0.42) LMNAALDH1A1HPGD
SCHEMBL22700996 0.61 CHRM2 (0.39) OPRD1PRCPLMNAALDH1A1HSD17B10
SCHEMBL7691670 0.61 ALDH1A1 (0.37) OPRD1PRCPL3MBTL1LMNAALDH1A1
SCHEMBL28617339 0.60 PTGS2 (0.37) L3MBTL1LMNAALDH1A1HSD17B10HTT

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
CN-108822037-B Method for efficiently synthesizing imidazoline derivative with high atom economy 复旦大学 2021-08-20 CN claimed
CN-108822037-B Method for efficiently synthesizing imidazoline derivative with high atom economy 复旦大学 2021-08-20 CN disclosed