SCHEMBL9516428

SCHEMBL9516428

CC(C(N)=O)N(C)Cc1ccc(COc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.53
ALOX5 P09917 4/20 0.52
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
FFAR1 O14842 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
PARP10 Q53GL7 1/20 0.48
MAOA P21397 1/20 0.47
PTGES O14684 1/20 0.47

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
SCHEMBL9126134 1.00 MAOB (0.53) MAOBALOX5PTGS1PTGS2MEN1
SCHEMBL1071203 0.96 MAOB (0.58) MAOBALOX5PTGS1PTGS2MEN1
SCHEMBL17372647 0.84 KMT2A (0.55) MEN1KMT2AALDH1A1
SCHEMBL19182844 0.84 KMT2A (0.55) MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL4649930 0.83 LTB4R (0.60) MAOBALOX5FFAR1PARP10
SCHEMBL7398570 0.83 MAOB (0.61) MAOBMEN1KMT2AFFAR1MAPT
SCHEMBL9129282 0.83 MAOB (0.61) MAOBMEN1KMT2AFFAR1MAPT
Hydrochloric Acid SCHEMBL6529136 0.82 KMT2A (0.54) MEN1KMT2AALDH1A1
SCHEMBL2020147 0.82 MAOB (0.62) MAOBALOX5FFAR1MAOA
SCHEMBL2020148 0.82 MAOB (0.62) MAOBALOX5FFAR1MAOA

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-0400495-B1 N-phenylalkyl substituted alpha-amino carboxamide derivatives and process for their preparation. ERBA CARLO SPA (IT) 1993-11-03 EP disclosed