SCHEMBL9844261

SCHEMBL9844261

O=C1OC(CCN2CCC(O)(c3ccc(F)cc3)CC2)CN1c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.63
GRM2 Q14416 4/20 0.48
DRD2 P14416 1/20 0.47

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
SCHEMBL9844106 0.96 SIGMAR1 (0.63) SIGMAR1GRM2DRD2
SCHEMBL9844272 0.95 SIGMAR1 (0.69) SIGMAR1GRM2
SCHEMBL9844032 0.93 SIGMAR1 (0.65) SIGMAR1GRM2
SCHEMBL9844323 0.90 SIGMAR1 (0.64) SIGMAR1DRD2
SCHEMBL9844417 0.90 SIGMAR1 (0.64) SIGMAR1DRD2
SCHEMBL9844231 0.90 SIGMAR1 (0.63) SIGMAR1GRM2DRD2
SCHEMBL9677788 0.90 SIGMAR1 (0.77) SIGMAR1
SCHEMBL9844316 0.89 SIGMAR1 (0.57) SIGMAR1GRM2DRD2
SCHEMBL9844315 0.88 SIGMAR1 (0.83) SIGMAR1
SCHEMBL9844376 0.88 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