SCHEMBL8714883

SCHEMBL8714883

CC(C)Nc1cccnc1N1CCN(C(=O)c2ccccc2C(=O)NCCOCCO)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
MAOA P21397 1/20 0.44
TBXA2R P21731 1/20 0.44
OPRM1 P35372 1/20 0.44
MDH1 P40925 1/20 0.44
KCNH2 Q12809 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.43
SCD O00767 5/20 0.42
CHIA Q9BZP6 1/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL8708941 0.90 ADRA2A (0.45) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL7861555 0.86 ADRA2A (0.43) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL8709099 0.80 ADRA2A (0.49) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL8708260 0.80 NAMPT (0.54) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL8711424 0.78 ADRA2A (0.47) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL7866501 0.77 KCNH2 (0.45) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL8708504 0.77 ALDH1A1 (0.46) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL7869770 0.77 ADRA2A (0.46) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL8711082 0.77 ADRA2A (0.46) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL8793292 0.77 ADRA2A (0.45) ADRA2AADORA3CHRM1MAOATBXA2R

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-1998054140-A1 NOVEL TEREPHTHALAMIDE DERIVATIVES DONGWHA PHARMACEUTICAL IND. CO., LTD. (KR) 1998-12-03 WO disclosed