SCHEMBL8701054

SCHEMBL8701054

CCCC(=O)OC[C@H]1CN(c2ccc3ccccc3n2)C(=O)O1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.42
PDE10A Q9Y233 1/20 0.41
GRM2 Q14416 10/20 0.39
HRH3 Q9Y5N1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NLRP3 Q96P20 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7814471 0.78 GRM5 (0.47) GRM5GRM2NLRP3MAPT
SCHEMBL8595324 0.73 GRM2 (0.62) GRM2
SCHEMBL8595322 0.73 GRM2 (0.62) GRM2
SCHEMBL3207934 0.71 GRM2 (0.50) GRM2
SCHEMBL15686429 0.71 GRM2 (0.50) GRM2
SCHEMBL9048647 0.71 NLRP3 (0.38) GRM2NLRP3
SCHEMBL8991395 0.70 MAPT (0.45) GRM2ALDH1A1MAPT
SCHEMBL15066254 0.69 F10 (0.61) GRM2
SCHEMBL15066255 0.69 F10 (0.61) GRM2
SCHEMBL15084214 0.69 GRM2 (0.46) GRM2SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5843967-A 6-membered nitrogen-containing heteroaryl-oxazolidinones BAYER AKTIENGESELLSCHAFT (DE) 1998-12-01 US disclosed
US-5627181-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-05-06 US disclosed
EP-0694543-A1 6-membered N-heteroaryloxazolidinones BAYER AG (DE) 1996-01-31 EP disclosed