SCHEMBL7162181

SCHEMBL7162181

CCC1CC(N)C(=O)N(CC)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
AADAT Q8N5Z0 3/20 0.36
SCN9A Q15858 1/20 0.36
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GSK3B P49841 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
CDC25A P30304 1/20 0.34
GOT1 P17174 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
MPI P34949 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL10578135 0.77 CHRM1 (0.44) ALDH1A1NPSR1LMNAADORA3AADAT
SCHEMBL4706317 0.74 ALDH1A1 (0.44) ALDH1A1LMNAADORA3AADATHSD17B10
SCHEMBL18974998 0.72 ALDH1A1 (0.47) ALDH1A1NPSR1LMNAADORA3AADAT
SCHEMBL14005648 0.71 DRD4 (0.51) LMNAAADATMEN1KMT2ATSHR
SCHEMBL38661427 0.70 ALDH1A1 (0.44) ALDH1A1NPSR1LMNAADORA3HSD17B10
SCHEMBL4704022 0.70 RIPK1 (0.46) LMNAADORA3KMT2AGSK3BTSHR
SCHEMBL1562250 0.70 RIPK1 (0.46) LMNAADORA3KMT2AGSK3BTSHR
SCHEMBL1562248 0.70 RIPK1 (0.46) LMNAADORA3KMT2AGSK3BTSHR
SCHEMBL4985948 0.69 ALDH1A1 (0.41) ALDH1A1NPSR1LMNAADORA3MEN1
Hydrochloric Acid SCHEMBL2233646 0.69 RIPK1 (0.45) LMNAADORA3KMT2AGSK3BTSHR

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-6544978-B2 Treating Alzheimer's disease both prophylactically and therapeutically ATHENA NEUROSCIENCES, INC. 2003-04-08 US disclosed