SCHEMBL8671532

SCHEMBL8671532

CC(=O)c1cccc2c1CC(OS(C)(=O)=O)CC2

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
DRD2 P14416 1/20 0.37

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
SCHEMBL8669264 0.81 NPC1 (0.44) MTNR1AMTNR1B
SCHEMBL4857120 0.75 CA1 (0.45) MTNR1AMTNR1B
SCHEMBL6953263 0.75 CA1 (0.45) MTNR1AMTNR1B
SCHEMBL5982154 0.73 CA2 (0.41) MTNR1AMTNR1B
SCHEMBL10043010 0.73 DRD2 (0.57) MTNR1AMTNR1BDRD2
SCHEMBL3318329 0.73 DRD2 (0.57) MTNR1AMTNR1BDRD2
SCHEMBL6954327 0.71 DRD2 (0.51) DRD2
SCHEMBL27341732 0.71 MTNR1A (0.51) MTNR1AMTNR1B
SCHEMBL6954331 0.71 DRD2 (0.51) DRD2
SCHEMBL6958607 0.71 DRD2 (0.51) DRD2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996017832-A1 NOVEL GLUTAMATE RECEPTOR ANTAGONISTS: FUSED CYCLOALKYLQUINOXALINEDIONES WARNER-LAMBERT COMPANY (US) 1996-06-13 WO claimed
US-5721234-A TREATING CONVULSIONS, ANXIETY, CEREBRAL HYPOXIA/ISCHEMIA, PARKINSON*S DISEASE WARNER-LAMBERT COMPANY (US) 1998-02-24 US disclosed
WO-1996017832-A1 NOVEL GLUTAMATE RECEPTOR ANTAGONISTS: FUSED CYCLOALKYLQUINOXALINEDIONES WARNER-LAMBERT COMPANY (US) 1996-06-13 WO disclosed