SCHEMBL8993492

SCHEMBL8993492

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

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 5/20 0.46
GAA P10253 4/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.40
ADORA3 P0DMS8 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
NPSR1 Q6W5P4 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
ATM Q13315 1/20 0.34
CYP2C9 P11712 1/20 0.34
PTGS2 P35354 1/20 0.34
CA2 P00918 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL7359473 0.83 KMT2A (0.65) MEN1KMT2ALMNASMN1; SMN2GAA
SCHEMBL8846878 0.73 SMN1; SMN2 (0.53) MEN1KMT2ALMNASMN1; SMN2GAA
SCHEMBL6555228 0.73 SMN1; SMN2 (0.53) MEN1KMT2ALMNASMN1; SMN2GAA
SCHEMBL8846872 0.73 SMN1; SMN2 (0.53) MEN1KMT2ALMNASMN1; SMN2GAA
Hydrochloric Acid SCHEMBL8993466 0.72 SMN1; SMN2 (0.52) MEN1KMT2ALMNASMN1; SMN2GAA
SCHEMBL6544579 0.72 MAPT (0.49) MEN1KMT2ALMNASMN1; SMN2GAA
SCHEMBL22721829 0.67 MEN1 (0.58) MEN1KMT2ALMNASMN1; SMN2GAA
SCHEMBL29299973 0.66 MEN1 (0.57) MEN1KMT2ALMNASMN1; SMN2GAA
SCHEMBL29299975 0.66 MEN1 (0.57) MEN1KMT2ALMNASMN1; SMN2GAA
SCHEMBL9252504 0.64 SMN1; SMN2 (0.42) MEN1KMT2ASMN1; SMN2GAAMAPT

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