SCHEMBL9844291

SCHEMBL9844291

COc1ccc(N2CC(CCN3CCC(Cc4ccccc4)CC3)OC2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.55
SIGMAR1 Q99720 5/20 0.53
GRIN1 Q05586 1/20 0.51
GRIN2B Q13224 1/20 0.51
OPRM1 P35372 2/20 0.49

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
Hydrochloric Acid SCHEMBL9844260 0.99 GRM2 (0.54) GRM2SIGMAR1GRIN1GRIN2BOPRM1
SCHEMBL9844084 0.90 GRM2 (0.57) GRM2
SCHEMBL9678853 0.90 SIGMAR1 (0.65) GRM2SIGMAR1GRIN1GRIN2B
SCHEMBL9844101 0.90 GRM2 (0.64) GRM2SIGMAR1
SCHEMBL9844290 0.90 GRM2 (0.53) GRM2SIGMAR1
Hydrochloric Acid SCHEMBL10389069 0.89 SIGMAR1 (0.64) GRM2SIGMAR1GRIN1GRIN2B
SCHEMBL9844448 0.88 ABCB1 (0.55) GRM2
SCHEMBL9844385 0.87 SLC6A2 (0.58) GRM2
SCHEMBL9844211 0.87 GRM2 (0.55) GRM2OPRM1
SCHEMBL9844131 0.87 GRM2 (0.55) GRM2GRIN1GRIN2B

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-0443197-A2 Oxazolidinones MERCK PATENT GmbH (DE) 1991-08-28 EP disclosed