SCHEMBL20000941

SCHEMBL20000941

C/C=C(/c1ccc(OC(F)(F)F)cc1)C(C)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.46
MRGPRX4 Q96LA9 2/20 0.41
AR P10275 2/20 0.40
PLA2G1B P04054 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
MAPK14 Q16539 1/20 0.38
FPR2 P25090 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN10A Q9Y5Y9 2/20 0.37
EPHX1 P07099 1/20 0.37
SERPINE1 P05121 1/20 0.37
FAAH O00519 1/20 0.37
EPHX2 P34913 1/20 0.37
MAOB P27338 1/20 0.37
HDAC3 O15379 1/20 0.36

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
SCHEMBL20000945 0.74 PDE2A (0.41) GRIN2BMAPTEPHX1FAAHEPHX2
SCHEMBL21649307 0.71 EPHX1 (0.46) GRIN2BMRGPRX4SCN10AEPHX1EPHX2
SCHEMBL20831002 0.71 KMT2A (0.67) GRIN2BMRGPRX4MAPTSMN1; SMN2MAPK14
SCHEMBL5784957 0.69 MRGPRX4 (0.63) MRGPRX4MAPTSMN1; SMN2EPHX2MAOB
SCHEMBL2092955 0.69 TRPV1 (0.45) GRIN2BMAPTFAAHEPHX2MAOB
SCHEMBL20850495 0.68 PPARG (0.47) MRGPRX4FPR2EPHX1SERPINE1
SCHEMBL28531048 0.67 EPHX1 (0.47) GRIN2BMRGPRX4SCN9ASCN10AEPHX1
SCHEMBL11310984 0.65 MRGPRX4 (0.58) MRGPRX4MAPTSMN1; SMN2EPHX2MAOB
SCHEMBL5105144 0.65 MRGPRX4 (0.58) MRGPRX4MAPTSMN1; SMN2SCN10ASERPINE1
SCHEMBL16770891 0.65 SLC6A4 (0.58) GRIN2BMRGPRX4PLA2G1BMAPTSMN1; SMN2

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
EP-2291358-B1 GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE MERCK SHARP & DOHME (US) 2018-03-28 EP disclosed