SCHEMBL8993520

SCHEMBL8993520

CC(C)(C)[C@H]1NNC(=O)[C@@H]1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 4/20 0.36
GAA P10253 3/20 0.36
SLC6A3 Q01959 4/20 0.34
ALDH1A1 P00352 3/20 0.34
CA2 P00918 2/20 0.33
SLC6A2 P23975 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EDNRA P25101 1/20 0.32
RECQL P46063 1/20 0.31
LMNA P02545 2/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
HTR2B P41595 1/20 0.31
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL9252504 0.76 SMN1; SMN2 (0.42) SMN1; SMN2MAPTGAASLC6A3ALDH1A1
SCHEMBL8846872 0.73 SMN1; SMN2 (0.53) SMN1; SMN2MAPTGAASLC6A3ALDH1A1
SCHEMBL8846878 0.73 SMN1; SMN2 (0.53) SMN1; SMN2MAPTGAASLC6A3ALDH1A1
SCHEMBL6555228 0.73 SMN1; SMN2 (0.53) SMN1; SMN2MAPTGAASLC6A3ALDH1A1
Hydrochloric Acid SCHEMBL8993466 0.72 SMN1; SMN2 (0.52) SMN1; SMN2MAPTGAASLC6A3ALDH1A1
SCHEMBL12474357 0.65 SMN1; SMN2 (0.52) SMN1; SMN2MAPTGAASLC6A3ALDH1A1
SCHEMBL11543269 0.65 CYP2D6 (0.42) MAPTGAASLC6A3ALDH1A1MEN1
SCHEMBL8993503 0.64 ALDH1A1 (0.47) MAPTGAAALDH1A1DDB1CRBN
SCHEMBL10843954 0.61 SMN1; SMN2 (0.65) SMN1; SMN2MAPTGAASLC6A3ALDH1A1
SCHEMBL9519015 0.61 LMNA (0.40) SMN1; SMN2MAPTGAAALDH1A1DDB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5574169-A CHOLECYSTOKININ ANTAGONIST ELI LILLY AND COMPANY (US) 1996-11-12 US disclosed
US-5399708-A Cholecystokinin and gastrin antagonists; gastrointestinal and central nervous system disorders ELI LILLY AND COMPANY (US) 1995-03-21 US disclosed