SCHEMBL9844017

SCHEMBL9844017

O=C1OC(CCN2CCC(O)(c3cccs3)CC2)CN1c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.65
GRM2 Q14416 7/20 0.47
CCR1 P32246 1/20 0.46
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42

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
SCHEMBL9844486 0.89 SIGMAR1 (0.83) SIGMAR1GRM2
SCHEMBL9844032 0.85 SIGMAR1 (0.65) SIGMAR1GRM2OPRL1
SCHEMBL9844231 0.81 SIGMAR1 (0.63) SIGMAR1GRM2CCR1OPRM1OPRL1
SCHEMBL9844261 0.81 SIGMAR1 (0.63) SIGMAR1GRM2
SCHEMBL9844304 0.79 GRM2 (0.54) SIGMAR1GRM2OPRM1
SCHEMBL9844106 0.79 SIGMAR1 (0.63) SIGMAR1GRM2
SCHEMBL9844264 0.79 SIGMAR1 (0.63) SIGMAR1GRM2CCR1OPRM1OPRL1
SCHEMBL9844324 0.78 SIGMAR1 (0.76) SIGMAR1GRM2
SCHEMBL7290651 0.77 SIGMAR1 (0.83) SIGMAR1
SCHEMBL9742163 0.77 GRM2 (0.61) GRM2

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