SCHEMBL6913113

SCHEMBL6913113

C=C(C(N)=O)C(C)N1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.39
SLC6A2 P23975 6/20 0.38
CHRNB4 P30926 6/20 0.38
CHRNA3 P32297 6/20 0.38
SLC6A3 Q01959 6/20 0.38
CHRNB2 P17787 5/20 0.38
CHRNA4 P43681 5/20 0.38
CHRNA1 P02708 4/20 0.38
CHRNG P07510 4/20 0.38
CHRNB1 P11230 4/20 0.38
CHRND Q07001 4/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
SLC6A4 P31645 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 2/20 0.36
NPC1 O15118 1/20 0.36
DPP7 Q9UHL4 1/20 0.35

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
SCHEMBL6454213 0.98 ALDH1A1 (0.37) MAOBSLC6A2CHRNB4CHRNA3SLC6A3
SCHEMBL11037759 0.82 ALDH1A1 (0.41) MAOBSLC6A2CHRNB4CHRNA3SLC6A3
SCHEMBL4632498 0.81 AAK1 (0.39) ALDH1A1KDM4EGAAKMT2ASMN1; SMN2
SCHEMBL5712749 0.79 ALDH1A1 (0.41) MAOBSLC6A2CHRNB4CHRNA3SLC6A3
SCHEMBL17331175 0.79 MAOB (0.43) MAOBSLC6A2CHRNB4CHRNA3SLC6A3
SCHEMBL1303845 0.79 MAOB (0.43) MAOBSLC6A2CHRNB4CHRNA3SLC6A3
SCHEMBL14655308 0.79 MAOB (0.43) MAOBSLC6A2CHRNB4CHRNA3SLC6A3
SCHEMBL15955855 0.79 MAOB (0.43) MAOBSLC6A2CHRNB4CHRNA3SLC6A3
SCHEMBL9583924 0.76 MAOB (0.44) MAOBSLC6A2CHRNB4CHRNA3SLC6A3
SCHEMBL1613168 0.76 ATM (0.41) MAOBSLC6A2CHRNB4CHRNA3SLC6A3

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-20040054041-A1 NOVEL POLYMER BINDER SYSTEMS COMPRISING IONIC LIQUIDS DEGUSSA AG (DE) 2004-03-18 US disclosed
US-5133970-A WATER-SOLUBLE PRESSURE-SENSITIVE SKIN-ADHESIVE AND USE THEREOF ROHM GMBH CHEMISCHE FABRIK (DE) 1992-07-28 US disclosed