SCHEMBL5198754

SCHEMBL5198754

CCCc1c(OCc2ccc(N)cc2)ccc(CC=O)c1O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
MAPT P10636 1/20 0.54
TSHR P16473 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CYSLTR1 Q9Y271 5/20 0.41
CYSLTR2 Q9NS75 1/20 0.41
CTSD P07339 8/20 0.40
GRM2 Q14416 4/20 0.40
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34

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
SCHEMBL5198640 0.88 MEN1 (0.54) MEN1CYP1A2MAPTTSHRKMT2A
SCHEMBL5200187 0.86 MEN1 (0.51) MEN1CYP1A2MAPTTSHRKMT2A
SCHEMBL5200408 0.84 MAPT (0.51) MEN1CYP1A2MAPTTSHRKMT2A
SCHEMBL5199044 0.83 MEN1 (0.52) MEN1CYP1A2MAPTTSHRKMT2A
SCHEMBL2894682 0.78 CYSLTR1 (0.64) CYP1A2MAPTCYSLTR1CYSLTR2CTSD
SCHEMBL5050181 0.77 CYP1A2 (0.67) MEN1CYP1A2MAPTTSHRKMT2A
SCHEMBL5200365 0.76 MEN1 (0.48) MEN1CYP1A2MAPTTSHRKMT2A
SCHEMBL9190362 0.76 MAPT (0.48) MEN1CYP1A2MAPTTSHRKMT2A
SCHEMBL5200269 0.75 MEN1 (0.48) MEN1CYP1A2MAPTTSHRKMT2A
SCHEMBL9509183 0.74 MEN1 (0.58) MEN1CYP1A2MAPTTSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817296-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-15 EP disclosed
EP-1817300-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-15 EP disclosed
WO-2006057860-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 WO disclosed
WO-2006057869-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 WO disclosed