SCHEMBL8024149

SCHEMBL8024149

CC(=O)OCC(=O)N1CC=C(c2ccc(N3CC(CCC(N)=O)OC3=O)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
GRM2 Q14416 9/20 0.38
NAMPT P43490 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
F10 P00742 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
SCHEMBL7710710 0.89 MAOA (0.48)
SCHEMBL7704865 0.87 SIGMAR1 (0.41) SIGMAR1GRM2MEN1KMT2AF10
SCHEMBL6397247 0.85 MAOA (0.48) SIGMAR1F10
SCHEMBL6397251 0.85 MAOA (0.48) SIGMAR1F10
SCHEMBL7704866 0.83 GRM2 (0.41) SIGMAR1GRM2F10
SCHEMBL6765247 0.80 MAOA (0.45) SIGMAR1NAMPTF10
SCHEMBL7028110 0.78 MAOA (0.47) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7024216 0.76 MAOA (0.45) GRM2ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8013254 0.76 GRM2 (0.42) SIGMAR1GRM2F10
SCHEMBL7153924 0.76 GRM2 (0.42) SIGMAR1GRM2F10

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-6166056-A Phenyloxazolidinones having a C-C bond to 4-8 membered heterocyclic rings PHARMACIA (US) 2000-12-26 US disclosed