SCHEMBL8711385

SCHEMBL8711385

CC(C)Nc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NC(CO)(CO)CO)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47
MAOA P21397 1/20 0.47
TBXA2R P21731 1/20 0.47
OPRM1 P35372 1/20 0.47
MDH1 P40925 1/20 0.47
KCNH2 Q12809 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
HSD11B1 P28845 1/20 0.44
GPR6 P46095 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CASR P41180 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
SLC6A7 Q99884 6/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 2/20 0.39

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
SCHEMBL8708259 0.95 ADRA2A (0.46) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL8708368 0.91 ADRA2A (0.47) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL8709099 0.86 ADRA2A (0.49) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL8707799 0.85 ADRA2A (0.48) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL8711424 0.85 ADRA2A (0.47) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL8709600 0.85 ADRA2A (0.54) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL8708441 0.84 ADRA2A (0.49) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL8709270 0.84 ADRA2A (0.47) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL8708418 0.84 ADRA2A (0.47) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL8711961 0.84 ADRA2A (0.47) 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