SCHEMBL3635129

SCHEMBL3635129

COc1ccc(N2C[C@@H](CN(c3ccnc4ccc(OC)nc34)C3CCNCC3)OC2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.41
SIGMAR1 Q99720 13/20 0.37
CCR8 P51685 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
SCHEMBL3635696 0.95 GRM2 (0.38) GRM2SIGMAR1CCR8
SCHEMBL3635685 0.92 GRM2 (0.42) GRM2SIGMAR1
SCHEMBL3634046 0.88 GRM2 (0.39) GRM2SIGMAR1CCR8
SCHEMBL3633217 0.85 KCNH2 (0.35) CCR8
SCHEMBL3634955 0.81 MAOA (0.36) CCR8
SCHEMBL1224453 0.73 GRM2 (0.44) GRM2SIGMAR1
SCHEMBL1224459 0.73 GRM2 (0.44) GRM2SIGMAR1
SCHEMBL1223644 0.73 GRM2 (0.42) GRM2SIGMAR1
SCHEMBL1223640 0.73 GRM2 (0.42) GRM2SIGMAR1
SCHEMBL1223063 0.72 GRM2 (0.36) GRM2SIGMAR1

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-2144910-A2 OXAZOLIDINONE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2010-01-20 EP disclosed
WO-2008126034-A2 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 WO disclosed