SCHEMBL11233320

SCHEMBL11233320

O=C1OC(COCc2ccccc2)CN1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 17/20 0.52
LMNA P02545 1/20 0.44
NT5E P21589 1/20 0.44

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
SCHEMBL2823472 0.87 GRM2 (0.68) GRM2LMNA
SCHEMBL11233634 0.85 GRM2 (0.58) GRM2LMNA
SCHEMBL11230811 0.83 GRM2 (0.65) GRM2
SCHEMBL8104890 0.82 GRM2 (0.75) GRM2
SCHEMBL14168265 0.81 GRM2 (0.51) GRM2
SCHEMBL4931930 0.81 GRM2 (0.51) GRM2
SCHEMBL14168289 0.80 GRM2 (0.52) GRM2
SCHEMBL15110500 0.78 F10 (0.64) GRM2
SCHEMBL15110497 0.78 F10 (0.64) GRM2
SCHEMBL7308062 0.78 GRM2 (0.50) GRM2LMNA

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
US-4338451-A ANTIDEPRESSANTS DELALANDE S.A. (FR) 1982-07-06 US disclosed