SCHEMBL9677516

SCHEMBL9677516

COc1ccc(N2CC(CN3CCC(C(=O)c4ccccc4)CC3)OC2=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 19/20 0.66
GRM2 Q14416 1/20 0.55

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
SCHEMBL9678765 0.90 GRM2 (0.56) SIGMAR1GRM2
SCHEMBL9844329 0.90 SIGMAR1 (0.54) SIGMAR1GRM2
SCHEMBL9677080 0.90 MEN1 (0.52) SIGMAR1GRM2
SCHEMBL9676115 0.88 SIGMAR1 (0.54) SIGMAR1
SCHEMBL9678985 0.87 SIGMAR1 (0.52) SIGMAR1GRM2
SCHEMBL9678371 0.87 SIGMAR1 (0.52) SIGMAR1
SCHEMBL9679094 0.84 HTR1A (0.46) SIGMAR1
SCHEMBL9677377 0.84 SIGMAR1 (0.71) SIGMAR1GRM2
SCHEMBL8800469 0.83 SIGMAR1 (0.66) SIGMAR1GRM2
SCHEMBL9086861 0.83 SIGMAR1 (0.66) SIGMAR1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0300272-B1 OXAZOLIDINONES MERCK PATENT GmbH (DE) 1992-09-16 EP disclosed
US-4970217-A NEUROLEPTIC MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-11-13 US disclosed
EP-0300272-A1 Oxazolidinones MERCK PATENT GmbH (DE) 1989-01-25 EP disclosed