SCHEMBL7484241

SCHEMBL7484241

COc1ccc(N2C[C@H](CN3CCC(Cc4ccc(N)cc4)CC3)OC2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 18/20 0.59
GRM2 Q14416 2/20 0.50

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
SCHEMBL7473692 0.91 SIGMAR1 (0.66) SIGMAR1
SCHEMBL9678853 0.91 SIGMAR1 (0.65) SIGMAR1GRM2
Hydrochloric Acid SCHEMBL10389069 0.90 SIGMAR1 (0.64) SIGMAR1GRM2
SCHEMBL7529808 0.89 GRM2 (0.50) SIGMAR1GRM2
SCHEMBL9085473 0.87 SIGMAR1 (0.62) SIGMAR1GRM2
SCHEMBL8799473 0.87 SIGMAR1 (0.62) SIGMAR1GRM2
SCHEMBL7487787 0.87 SIGMAR1 (0.50) SIGMAR1GRM2
SCHEMBL7488795 0.87 SIGMAR1 (0.50) SIGMAR1GRM2
SCHEMBL7481896 0.86 GRM2 (0.58) SIGMAR1GRM2
SCHEMBL7486541 0.86 SIGMAR1 (0.55) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0763535-B1 Piperidinylmethyloxazolidin-2-one derivatives, their preparation and their use as pharmacological active CNS compounds MERCK PATENT GMBH (DE) 2002-11-27 EP claimed
EP-0763535-A1 Piperidinylmethyloxazolidin-2-one derivatives, their preparation and their use as pharmacological active CNS compounds MERCK PATENT GmbH (DE) 1997-03-19 EP claimed
EP-0763535-B1 Piperidinylmethyloxazolidin-2-one derivatives, their preparation and their use as pharmacological active CNS compounds MERCK PATENT GMBH (DE) 2002-11-27 EP disclosed
EP-0763535-A1 Piperidinylmethyloxazolidin-2-one derivatives, their preparation and their use as pharmacological active CNS compounds MERCK PATENT GmbH (DE) 1997-03-19 EP disclosed