SCHEMBL27675346

SCHEMBL27675346

COc1c(OCC2CC2)nc(N(Cc2cccnc2)c2cccc(C(=O)OOC(C)(C)C)c2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.34
GRM2 Q14416 5/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
SLC2A1 P11166 3/20 0.33
PTGIR P43119 1/20 0.33
CXCR3 P49682 1/20 0.33
CCR5 P51681 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 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
SCHEMBL27655230 0.90 GRM2 (0.38) GRM2KDM4EMEN1ALDH1A1GLA
SCHEMBL28759720 0.90 GRM2 (0.39) CNR2GRM2GPBAR1SLC2A1PTGIR
SCHEMBL27655235 0.87 GRM2 (0.41) GRM2CCR5MEN1HPGDKMT2A
SCHEMBL27675253 0.84 TP53 (0.35) CNR2GRM2GPBAR1SLC2A1CXCR3
SCHEMBL27675132 0.79 GRM2 (0.43) GRM2KDM4EMEN1ALDH1A1GLA
SCHEMBL27655214 0.75 GRM2 (0.42) GRM2MEN1HPGDKMT2AL3MBTL1
SCHEMBL27655238 0.74 GRM2 (0.39) GRM2KDM4EMEN1ALDH1A1GAA
SCHEMBL27675159 0.73 PDE4A (0.43) GRM2KDM4EMEN1ALDH1A1GLA
SCHEMBL2908377 0.72 LTC4S (0.42) GRM2SLC2A1ALDH1A1L3MBTL1CYP3A4
SCHEMBL27655289 0.71 GRM2 (0.40) GRM2MEN1ALDH1A1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1922144-A Phosphodiesterase 4 inhibitors, including n-substituted diarylamine analogs MEMORY PHARM CORP (US) 2007-02-28 CN disclosed