SCHEMBL9844040

SCHEMBL9844040

O=C1OC(CCN2CCC(O)(c3ccc(Cl)cc3)CC2)CN1c1ccc(Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 19/20 0.69
GRM2 Q14416 1/20 0.53

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
SCHEMBL9844417 0.95 SIGMAR1 (0.64) SIGMAR1
SCHEMBL9844323 0.95 SIGMAR1 (0.64) SIGMAR1
SCHEMBL9844231 0.95 SIGMAR1 (0.63) SIGMAR1GRM2
SCHEMBL9844264 0.95 SIGMAR1 (0.63) SIGMAR1GRM2
SCHEMBL9844115 0.92 SIGMAR1 (0.83) SIGMAR1
SCHEMBL9844061 0.92 SIGMAR1 (0.83) SIGMAR1
SCHEMBL9844075 0.92 SIGMAR1 (0.83) SIGMAR1
SCHEMBL9844272 0.89 SIGMAR1 (0.69) SIGMAR1GRM2
SCHEMBL9676304 0.89 SIGMAR1 (0.85) SIGMAR1
SCHEMBL7290999 0.89 SIGMAR1 (0.83) 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 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