Sugi Predict

Sugi Predict / Compounds / SCHEMBL5200546

SCHEMBL5200546

SCHEMBL5200546

CCc1c(OCc2ccc(C(OC3CCCCO3)c3cccc(-c4nn[nH]n4)c3)cc2)ccc(CC=O)c1O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 9/20 0.38
▸ CYSLTR1 Q9Y271 8/20 0.38
▸ CYSLTR2 Q9NS75 1/20 0.38
▸ CTSD P07339 2/20 0.37
▸ AGTR1 P30556 1/20 0.35
▸ AGTR2 P50052 1/20 0.35

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
SCHEMBL481347 0.88 CYSLTR1 (0.52) GRM2CYSLTR1CYSLTR2
SCHEMBL5200800 0.85 CYSLTR1 (0.41) GRM2CYSLTR1CYSLTR2CTSD
SCHEMBL481362 0.80 GRM2 (0.54) GRM2CYSLTR1CYSLTR2CTSD
SCHEMBL481148 0.74 CYSLTR1 (0.56) GRM2CYSLTR1CYSLTR2
SCHEMBL481013 0.74 CYSLTR1 (0.55) GRM2CYSLTR1CYSLTR2
SCHEMBL5200758 0.72 CYSLTR1 (0.44) GRM2CYSLTR1CYSLTR2
SCHEMBL5199133 0.72 CYSLTR1 (0.43) GRM2CYSLTR1CYSLTR2
SCHEMBL481036 0.71 CYSLTR1 (0.35) GRM2CYSLTR1CYSLTR2CTSD
SCHEMBL481105 0.70 CYSLTR1 (0.63) GRM2CYSLTR1CYSLTR2
SCHEMBL3095440 0.69 CYSLTR1 (0.42) GRM2CYSLTR1CYSLTR2CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817301-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-15 — — EP disclosed
WO-2006057870-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 — — WO disclosed