SCHEMBL3635696

SCHEMBL3635696

CCOc1ccc(N2C[C@@H](CN(c3ccnc4ccc(OC)nc34)C3CCNCC3)OC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 10/20 0.38
SIGMAR1 Q99720 3/20 0.34
CCR8 P51685 1/20 0.34
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL3635129 0.95 GRM2 (0.41) GRM2SIGMAR1CCR8
SCHEMBL3634046 0.93 GRM2 (0.39) GRM2SIGMAR1CCR8TP53MAPT
SCHEMBL3635685 0.88 GRM2 (0.42) GRM2SIGMAR1
SCHEMBL3633217 0.83 KCNH2 (0.35) CCR8
SCHEMBL3634955 0.81 MAOA (0.36) CCR8
SCHEMBL1224602 0.74 GRM2 (0.40) GRM2SIGMAR1POLB
SCHEMBL1224604 0.74 GRM2 (0.40) GRM2SIGMAR1POLB
SCHEMBL1222987 0.74 GRM2 (0.39) GRM2SIGMAR1POLB
SCHEMBL1223674 0.74 GRM2 (0.39) GRM2SIGMAR1POLB
SCHEMBL1223188 0.71 GRM2 (0.41) GRM2CCR8

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