SCHEMBL6613615

SCHEMBL6613615

O=C(O)OC1CC(=O)N(CCc2cccs2)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
CHRM2 P08172 4/20 0.41
CHRM1 P11229 4/20 0.41
CHRM3 P20309 4/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
ATM Q13315 1/20 0.37
LMNA P02545 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
TP53 P04637 2/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL6612380 0.88 L3MBTL1 (0.67) L3MBTL1CHRM2CHRM1CHRM3POLB
SCHEMBL6610830 0.82 L3MBTL1 (0.42) L3MBTL1POLBGAA
SCHEMBL2176372 0.81 L3MBTL1 (0.76) L3MBTL1POLBSMN1; SMN2GAATP53
SCHEMBL14648049 0.81 L3MBTL1 (0.76) L3MBTL1POLBSMN1; SMN2GAATP53
SCHEMBL6611026 0.81 HPGD (0.53) L3MBTL1POLBSMN1; SMN2GAAATM
SCHEMBL18901976 0.79 L3MBTL1 (0.61) L3MBTL1POLBSMN1; SMN2GAAHRH3
SCHEMBL7768685 0.78 SMN1; SMN2 (0.37) POLBSMN1; SMN2ATMHPGD
SCHEMBL7275276 0.76 DPP4 (0.48) L3MBTL1POLBSMN1; SMN2GAAATM
SCHEMBL13379352 0.75 L3MBTL1 (0.56) L3MBTL1POLBSMN1; SMN2GAAHRH3
SCHEMBL13379349 0.75 L3MBTL1 (0.56) L3MBTL1POLBSMN1; SMN2GAATP53

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-1463724-A1 PYRROLIDONE CARBOXAMIDES Actelion Pharmaceuticals Ltd. (CH) 2004-10-06 EP disclosed
WO-2003059905-A1 PYRROLIDONE CARBOXAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2003-07-24 WO disclosed