SCHEMBL8065158

SCHEMBL8065158

CC[C@H](C)[C@H]1CSCC(=O)N1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 2/20 0.37
NR1H2 P55055 2/20 0.37
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
KLK7 P49862 6/20 0.34
KLK5 Q9Y337 5/20 0.34
GPR119 Q8TDV5 4/20 0.32
PLA2G10 O15496 1/20 0.32
PLA2G5 P39877 1/20 0.32
PRSS1 P07477 2/20 0.31
PRSS2 P07478 2/20 0.31
PRSS3 P35030 2/20 0.31
GLA P06280 1/20 0.30

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
SCHEMBL8886373 1.00 NR1H3 (0.37) NR1H3NR1H2CHRM2CHRM1CHRM3
SCHEMBL8886176 0.77 GLA (0.39) NR1H3NR1H2CHRM2CHRM1CHRM3
SCHEMBL5891823 0.77 GLA (0.39) NR1H3NR1H2CHRM2CHRM1CHRM3
SCHEMBL3378115 0.71 CHRM2 (0.40) NR1H3NR1H2CHRM2CHRM1CHRM3
SCHEMBL14141084 0.71 CHRM2 (0.40) NR1H3NR1H2CHRM2CHRM1CHRM3
SCHEMBL8065381 0.71 KLK7 (0.48) NR1H3NR1H2KLK7KLK5GPR119
SCHEMBL8886170 0.71 KLK7 (0.48) NR1H3NR1H2KLK7KLK5GPR119
SCHEMBL8073190 0.70 NR1H3 (0.36) NR1H3NR1H2CHRM2CHRM1CHRM3
SCHEMBL8886431 0.70 NR1H3 (0.36) NR1H3NR1H2CHRM2CHRM1CHRM3
SCHEMBL8884698 0.69 KLK7 (0.42) NR1H3NR1H2KLK7KLK5GPR119

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
EP-0666844-B1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2000-08-23 EP disclosed
WO-1994010138-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1994-05-11 WO disclosed