SCHEMBL5200639

SCHEMBL5200639

O=CCc1ccc(OCc2ccc(Cc3cccc(-c4ccnc(O)n4)c3)cc2)c(Cl)c1O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 14/20 0.34
GRM2 Q14416 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP3A4 P08684 1/20 0.33
MRGPRX4 Q96LA9 2/20 0.32
ERN1 O75460 1/20 0.32
XDH P47989 1/20 0.31

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
SCHEMBL5275712 0.93 MEN1 (0.38) PTGER1GRM2CYSLTR1
SCHEMBL481464 0.84 CYSLTR1 (0.49) PTGER1GRM2CYSLTR1CYP2C9
SCHEMBL27686232 0.81 GRM2 (0.36) PTGER1GRM2CYSLTR1CYP2C9CYP3A4
SCHEMBL481191 0.77 GRM2 (0.47) GRM2CYSLTR1CYP2C9
SCHEMBL27686241 0.74 ROCK1 (0.39) PTGER1GRM2CYSLTR1CYP2C9CYP3A4
SCHEMBL5200479 0.72 SLC26A3 (0.44) MRGPRX4
SCHEMBL5200321 0.71 APP (0.44) MRGPRX4
SCHEMBL5199078 0.71 CCR5 (0.36) MRGPRX4
SCHEMBL5750187 0.67 KMO (0.43)
SCHEMBL1755755 0.65 CYSLTR1 (0.44) GRM2CYSLTR1CYP2C9CYP3A4

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