SCHEMBL9213506

SCHEMBL9213506

COCC1CN(c2ccc3cc(OCC[S+](C)[O-])ccc3c2)C(=O)O1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.47
▸ GRM2 Q14416 10/20 0.46

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
SCHEMBL9205112 0.84 GRM2 (0.53) MAOBGRM2
SCHEMBL8566870 0.84 GRM2 (0.53) MAOBGRM2
SCHEMBL9210042 0.84 GRM2 (0.52) MAOBGRM2
SCHEMBL9206278 0.84 MAOB (0.48) MAOBGRM2
SCHEMBL9208087 0.84 MAOB (0.48) MAOBGRM2
SCHEMBL9213164 0.83 GRM2 (0.51) MAOBGRM2
SCHEMBL9208901 0.81 GRM2 (0.56) GRM2
SCHEMBL9213510 0.80 MIF (0.31) MAOB
SCHEMBL9215768 0.80 GRM2 (0.56) GRM2
SCHEMBL9204673 0.80 GRM2 (0.56) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0425209-B1 Naphthyloxazolidone derivatives TANABE SEIYAKU CO (JP) 1995-05-10 — — EP disclosed
EP-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 — — EP disclosed
US-5332754-A Antidepressant TANABE SEIYAKU CO., LTD. (JP) 1994-07-26 — — US disclosed
US-5182296-A Antidepressants TANABE SEIYAKY CO., LTD. (JP) 1993-01-26 — — US disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 — — US disclosed
EP-0425209-A2 Naphthyloxazolidone derivatives TANABE SEIYAKU CO., LTD. (JP) 1991-05-02 — — EP disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 — — EP disclosed
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