SCHEMBL19200419

SCHEMBL19200419

CCC(C(=O)N[C@@H]1Cc2ccccc2C1NC(=O)OC(C)(C)C)c1ccc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 1/20 0.39
GRM7 Q14831 2/20 0.38
SCN9A Q15858 5/20 0.37
GHSR Q92847 3/20 0.36
KCNH2 Q12809 1/20 0.36
MAPK14 Q16539 2/20 0.36
EPHX2 P34913 1/20 0.35
KCNQ2 O43526 1/20 0.34
PYGL P06737 1/20 0.34
OXTR P30559 2/20 0.34
CYP3A4 P08684 1/20 0.33
AVPR2 P30518 1/20 0.33
AVPR1A P37288 1/20 0.33
MMP9 P14780 1/20 0.33

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
SCHEMBL19183414 1.00 KDM4D (0.39) KDM4DGRM7SCN9AGHSRKCNH2
SCHEMBL19200379 0.88 GRM7 (0.46) KDM4DGRM7SCN9AGHSRKCNH2
SCHEMBL19200378 0.88 GRM7 (0.46) KDM4DGRM7SCN9AGHSRKCNH2
SCHEMBL20678677 0.88 GRM7 (0.41) GRM7GHSRKCNH2KCNQ2PYGL
SCHEMBL19200429 0.87 GRM7 (0.47) KDM4DGRM7SCN9AGHSRKCNH2
SCHEMBL19200308 0.87 GRM7 (0.47) KDM4DGRM7SCN9AGHSRKCNH2
SCHEMBL19200428 0.87 GRM7 (0.47) KDM4DGRM7SCN9AGHSRKCNH2
SCHEMBL19200466 0.83 KDM4D (0.42) KDM4DGRM7SCN9AGHSRMAPK14
SCHEMBL19200269 0.83 KDM4D (0.42) KDM4DGRM7SCN9AGHSRKCNH2
SCHEMBL19183522 0.82 KDM4D (0.38) KDM4DGRM7SCN9AGHSREPHX2

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
WO-2017131221-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-03 WO disclosed