SCHEMBL9048647

SCHEMBL9048647

CCCC(=O)OC[C@H]1CN(c2cc3c(Br)cccc3s2)C(=O)O1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.38
GRM2 Q14416 17/20 0.37
MAOA P21397 1/20 0.35
MAOB P27338 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
SCHEMBL9050669 0.82 MAOA (0.49) GRM2MAOAMAOB
SCHEMBL9047854 0.82 GRM2 (0.38) GRM2MAOAMAOB
SCHEMBL9049457 0.80 MAOA (0.46) MAOAMAOB
SCHEMBL8595324 0.74 GRM2 (0.62) GRM2MAOAMAOB
SCHEMBL8595322 0.74 GRM2 (0.62) GRM2MAOAMAOB
SCHEMBL15686429 0.72 GRM2 (0.50) GRM2
SCHEMBL3207934 0.72 GRM2 (0.50) GRM2
SCHEMBL7814471 0.71 GRM5 (0.47) NLRP3GRM2
SCHEMBL8701054 0.71 GRM5 (0.42) NLRP3GRM2
SCHEMBL8991395 0.67 MAPT (0.45) GRM2

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
EP-0693491-A1 Oxazolidinones substituted by 5-membered heteroaryl group as antibacterial medicine BAYER AG (DE) 1996-01-24 EP disclosed