SCHEMBL11228772

SCHEMBL11228772

CC(CS)C(=O)OC(=O)[C@]1(C(C)c2ccccc2)CCCN1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.34
SLC6A3 Q01959 4/20 0.34
LMNA P02545 3/20 0.34
SLC6A4 P31645 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
OPRM1 P35372 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL11235013 0.84 LMNA (0.34) SLC6A2SLC6A3LMNASLC6A4SMN1; SMN2
SCHEMBL11243304 0.77 LMNA (0.37) SLC6A2SLC6A3LMNASLC6A4SMN1; SMN2
SCHEMBL11228481 0.76 MAPT (0.32)
SCHEMBL4452654 0.71
SCHEMBL11234497 0.71 SLC6A2 (0.33) SLC6A2SLC6A3LMNASLC6A4SMN1; SMN2
SCHEMBL5698108 0.70 ACE (0.39) POLBALDH1A1
SCHEMBL7342204 0.70
SCHEMBL5698105 0.70 RXRA (0.33) LMNAALDH1A1
SCHEMBL5698075 0.69 ACE (0.39)
SCHEMBL5698079 0.69 ACE (0.39)

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-4316905-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-02-23 US disclosed