SCHEMBL8923888

SCHEMBL8923888

CC(N)C(=O)C1CCN(C(=O)OCc2ccccc2)C1(C(=O)O)C(=O)C(C)N

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ACE2 Q9BYF1 2/20 0.40
HTR2C P28335 1/20 0.40
PREP P48147 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
DPP4 P27487 2/20 0.37
KCNH2 Q12809 2/20 0.37
DPP7 Q9UHL4 2/20 0.37

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
SCHEMBL8922565 0.84 EPHX2 (0.37) KMT2A
SCHEMBL8696451 0.72 SMN1; SMN2 (0.41) SMN1; SMN2CYP2C19NPC1RAB9APREP
SCHEMBL7443401 0.70 SMN1; SMN2 (0.50) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
SCHEMBL4058433 0.70 ALDH1A1 (0.50) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
SCHEMBL5980742 0.69 FKBP1A (0.42) SMN1; SMN2CYP2C19PREPDPP4KCNH2
SCHEMBL3710479 0.69 SMN1; SMN2 (0.49) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
SCHEMBL6627044 0.69 SMN1; SMN2 (0.50) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
SCHEMBL9237583 0.69 DPP4 (0.43) DPP4DPP7
SCHEMBL2135198 0.69 ALDH1A1 (0.60) CYP2C19KMT2AMEN1L3MBTL1
SCHEMBL313062 0.69 ALDH1A1 (0.60) CYP2C19KMT2AMEN1L3MBTL1

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
US-5616573-A Glucocorticoids SCHERING AKTIENGESELLSCHAFT (DE) 1997-04-01 US disclosed