SCHEMBL27686232

SCHEMBL27686232

CC(C(=O)C(C)c1ccc(OCc2ccc(Cc3cccc(-c4ccnc(O)n4)c3)cc2)c(Cl)c1O)c1ccc(OCc2ccc(Cc3cccc(-c4ccnc(O)n4)c3)cc2)c(Cl)c1O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.36
CYSLTR1 Q9Y271 2/20 0.36
PTGER1 P34995 11/20 0.35
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 1/20 0.35
KMO O15229 1/20 0.34
RXRA P19793 1/20 0.33
TBXA2R P21731 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
ACACB O00763 1/20 0.32

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
SCHEMBL27686241 0.93 ROCK1 (0.39) GRM2CYSLTR1PTGER1CYP2C9CYP3A4
SCHEMBL481464 0.86 CYSLTR1 (0.49) GRM2CYSLTR1PTGER1CYP2C9MAPT
SCHEMBL5200639 0.81 PTGER1 (0.34) GRM2CYSLTR1PTGER1CYP2C9CYP3A4
SCHEMBL481191 0.79 GRM2 (0.47) GRM2CYSLTR1CYP2C9MAPTKMT2A
SCHEMBL5275712 0.74 MEN1 (0.38) GRM2CYSLTR1PTGER1KMOKDM4E
SCHEMBL27686389 0.73 SLC26A3 (0.47) GRM2MRGPRX4
SCHEMBL27711668 0.73 PDK2 (0.37) CYP2C9RXRAMRGPRX4KDM4EALDH1A1
SCHEMBL27686251 0.73 APP (0.43) RXRAMRGPRX4KDM4EALDH1A1HPGD
SCHEMBL27686308 0.71 PDK2 (0.36) CYP2C9RXRAMRGPRX4KDM4EALDH1A1
SCHEMBL28769414 0.70 CYSLTR1 (0.49) GRM2CYSLTR1MRGPRX4

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
CN-101955470-B Potentiators of glutamate receptors LILLY CO ELI 2012-06-13 CN disclosed
CN-101955470-A Glutamate receptor potentiators LILLY CO ELI 2011-01-26 CN disclosed
CN-101061106-B Glutamate receptor potentiators LILLY CO ELI 2010-09-29 CN disclosed
CN-101061106-A Glutamate receptor potentiators LILLY CO ELI (US) 2007-10-24 CN disclosed