SCHEMBL11051683

SCHEMBL11051683

CCN(CC)C(=O)N1CCN(c2ccc(C(=O)OC)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
MAPT P10636 6/20 0.51
KMT2A Q03164 2/20 0.51
TSHR P16473 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 2/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
HTR1A P08908 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PDE6D O43924 1/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 2/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
MGLL Q99685 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL11053793 0.88 MAPT (0.53) ALDH1A1MAPTKMT2ATSHRSMN1; SMN2
SCHEMBL11057335 0.85 USP2 (0.51) ALDH1A1MAPTKMT2ATSHRLMNA
SCHEMBL11052895 0.85 MAPT (0.58) ALDH1A1MAPTKMT2ASMN1; SMN2HTT
SCHEMBL11055041 0.83 L3MBTL1 (0.62) ALDH1A1MAPTKMT2AHTTLMNA
Hydrochloric Acid SCHEMBL11057314 0.83 MAPT (0.57) ALDH1A1MAPTKMT2ASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL11050970 0.82 L3MBTL1 (0.61) ALDH1A1MAPTKMT2AHTTLMNA
SCHEMBL4116463 0.81 MAPT (0.69) ALDH1A1MAPTKMT2ATSHRSMN1; SMN2
SCHEMBL11059226 0.80 AKR1C3 (0.54) ALDH1A1MAPTKMT2ATSHRSMN1; SMN2
SCHEMBL11051087 0.80 HRH3 (0.57) ALDH1A1MAPTKMT2ASMN1; SMN2HTT
SCHEMBL11057047 0.80 ALDH1A1 (0.58) ALDH1A1MAPTKMT2ATSHRSMN1; SMN2

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
US-4446133-A ANTIARTHRITIC AGENTS Misuitoatsu Chemicals, Inc. (JP) 1984-05-01 US disclosed