SCHEMBL9029685

SCHEMBL9029685

CN(C)CC(=O)N[C@H]1CC[C@@H](C)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
RECQL P46063 1/20 0.47
MAPT P10636 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ADRA2A P08913 1/20 0.44
MAOA P21397 1/20 0.43
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL9027751 1.00 EPHX1 (0.48) EPHX1ALDH1A1POLBRECQLMAPT
SCHEMBL9027748 1.00 EPHX1 (0.48) EPHX1ALDH1A1POLBRECQLMAPT
SCHEMBL4191188 0.92 MAOA (0.47) EPHX1ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL5022149 0.89 ALDH1A1 (0.41) EPHX1ALDH1A1POLBRECQLMAPT
SCHEMBL1908699 0.85 MAOA (0.43) EPHX1ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL21213732 0.83 SMYD3 (0.49) GAAMAOA
SCHEMBL12819982 0.83 MAOA (0.42) EPHX1MAPTGAASMN1; SMN2MAOA
SCHEMBL21198215 0.83 SMYD3 (0.49) GAAMAOA
SCHEMBL16374937 0.83 SMYD3 (0.49) GAAMAOA
SCHEMBL24658467 0.82 MAOA (0.38) ALDH1A1POLBRECQLMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0535250-B1 NOVEL COMPOUNDS AND USE THEREOF AS MEDICINE TSUMURA & CO (JP) 1996-06-19 EP disclosed
EP-0705817-A1 New cannamide derivatives and their use as allergy inhibitors TSUMURA & CO. (JP) 1996-04-10 EP disclosed
US-5344845-A Methyl 4(4-acetoxy-3-methoxycinnamanide and salts as an immunosuppressive drug for allergic reactions TSUMURA & CO. (JP) 1994-09-06 US disclosed
EP-0535250-A1 NOVEL COMPOUNDS AND USE THEREOF AS MEDICINE TSUMURA & CO. (JP) 1993-04-07 EP disclosed