SCHEMBL8790782

SCHEMBL8790782

CC(N)[C]=O.CC1CN(CC(=O)OCc2ccccc2)CCN1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.47
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
HTR2C P28335 1/20 0.40
SLC15A1 P46059 2/20 0.39
ACE2 Q9BYF1 1/20 0.38
PREP P48147 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36

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
SCHEMBL7362472 0.86 CHRM1 (0.45) CHRM1PPARGPPARAHTR2CKDM4E
SCHEMBL8790348 0.79 ACE2 (0.39) HTR2CSLC15A1ACE2PREPKDM4E
SCHEMBL25835992 0.78 ALDH1A1 (0.42) PPARGPPARAALDH1A1SMN1; SMN2MAPK1
SCHEMBL25836000 0.77 PPARG (0.43) CHRM1PPARGPPARAHTR2CALDH1A1
SCHEMBL22624509 0.76 SLC15A1 (0.49) HTR2CSLC15A1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL24251635 0.74 ALDH1A1 (0.59) PPARGPPARAALDH1A1SMN1; SMN2MAPK1
SCHEMBL24943926 0.74 KDM4E (0.50) HTR2CKDM4EALDH1A1SMN1; SMN2MAPK1
SCHEMBL1127697 0.74 PPARG (0.58) PPARGPPARAHTR2CALDH1A1SMN1; SMN2
SCHEMBL27623292 0.73 CHRM1 (0.51) CHRM1PPARGPPARAALDH1A1SMN1; SMN2
SCHEMBL23027037 0.72 LTA4H (0.48) CHRM1KDM4EALDH1A1SMN1; SMN2MAPK1

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
EP-0800516-A1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED (b)-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORPORATION (JP) 1997-10-15 EP disclosed