SCHEMBL11220259

SCHEMBL11220259

O=C1OC(CO)CN1c1ccc(OCC2SCCS2)cc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 12/20 0.55
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ CALML3 P27482 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
SCHEMBL1223001 0.78 GRM2 (0.67) GRM2MAOAMAOB
SCHEMBL1223003 0.78 GRM2 (0.67) GRM2MAOAMAOB
SCHEMBL11555302 0.78 GRM2 (0.51) GRM2MAOAMAOBCALML3
SCHEMBL11233680 0.78 MAOA (0.52) GRM2MAOAMAOBCALML3
SCHEMBL9484103 0.77 GRM2 (0.60) GRM2MAOAMAOBCALML3
SCHEMBL9484108 0.77 GRM2 (0.60) GRM2MAOAMAOBCALML3
SCHEMBL9482678 0.76 GRM2 (0.53) GRM2MAOAMAOBCALML3
SCHEMBL9482693 0.76 GRM2 (0.53) GRM2MAOAMAOBCALML3
SCHEMBL9484141 0.76 GRM2 (0.53) GRM2MAOAMAOBCALML3
SCHEMBL9482868 0.76 GRM2 (0.50) GRM2MAOAMAOBCALML3

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
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