SCHEMBL2665161

SCHEMBL2665161

O=C(O)CCNC(=O)c1ccc(C(=O)/C(=C\C(=O)c2cccc(OC(F)(F)F)c2)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 15/20 0.51
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
MAPK14 Q16539 1/20 0.46
GIPR P48546 3/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2C9 P11712 1/20 0.45
KCNH2 Q12809 1/20 0.45
NAMPT P43490 1/20 0.44
IGF2BP2 Q9Y6M1 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
GLP1R P43220 1/20 0.43

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
SCHEMBL6917434 0.94 GCGR (0.50) GCGRMAPK14GIPRCYP3A4CYP2C8
SCHEMBL2664934 0.94 GCGR (0.50) GCGRMAPK14GIPRCYP3A4CYP2C8
SCHEMBL2648152 0.91 GCGR (0.53) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL2648042 0.91 GCGR (0.53) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL2648150 0.91 GCGR (0.53) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL2647844 0.88 TRPV1 (0.51) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL2647843 0.88 TRPV1 (0.51) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL2648134 0.86 MAPK14 (0.52) GCGRMAPK14GIPRCYP3A4CYP2C8
SCHEMBL2648139 0.86 MAPK14 (0.52) GCGRMAPK14GIPRCYP3A4CYP2C8
SCHEMBL2665131 0.86 GCGR (0.46) GCGRROCK2ROCK1MAPK14GIPR

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-2003048109-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2003-06-12 WO disclosed