SCHEMBL8714433

SCHEMBL8714433

CC(C)Nc1cccnc1N1CCN(C(=O)c2ccc(C(=O)N(CCO)Cc3ccccc3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

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
SLC6A7 Q99884 8/20 0.43
HSD11B1 P28845 1/20 0.43
LIMK2 P53671 1/20 0.40
MGLL Q99685 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
GPR6 P46095 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 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
SCHEMBL8714440 0.90 ADRA2A (0.46) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL8711563 0.90 ADRA2A (0.45) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL8707737 0.88 ADRA2A (0.44) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL8711168 0.88 OPRM1 (0.45) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL8709684 0.87 ADRA2A (0.47) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL8713761 0.86 ADRA2A (0.48) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL8711077 0.85 OPRM1 (0.51) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL8713960 0.84 ADRA2A (0.47) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL7866450 0.83 ADRA2A (0.44) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL8713901 0.83 ADRA2A (0.46) 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