SCHEMBL3242886

SCHEMBL3242886

CCCN(C)C(=O)c1ccc(NC(c2cn(-c3ccnc(Cl)c3)cc2C)C2CCCCC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.36
GFER P55789 1/20 0.36
RCE1 Q9Y256 1/20 0.36
GCG P01275 4/20 0.34
HPGD P15428 3/20 0.33
EPHX2 P34913 1/20 0.33
MAPK14 Q16539 1/20 0.33
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.31
S1PR1 P21453 1/20 0.31
LCK P06239 1/20 0.31
JAK3 P52333 1/20 0.31
EPHX1 P07099 1/20 0.31
CNR2 P34972 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
GRIA2 P42262 1/20 0.31

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
SCHEMBL3106978 0.93 GCG (0.40) GFERRCE1GCGHPGDMAPK14
SCHEMBL3101632 0.81 GCG (0.54) GCG
SCHEMBL3104351 0.78 GCG (0.37) NAMPTRCE1GCG
SCHEMBL3106837 0.77 GCG (0.38) NAMPTRCE1GCGCYP2D6
SCHEMBL3110027 0.76 GCG (0.43) GCG
SCHEMBL3100120 0.72 RCE1 (0.35) RCE1GCGKDM4E
SCHEMBL3093942 0.72 IDO1 (0.40) GFERALDH1A1KDM4EEPHX1
SCHEMBL720570 0.70 GCG (0.44) RCE1GCGALDH1A1
SCHEMBL719899 0.69 GCG (0.45) RCE1GCGKDM4E
SCHEMBL721260 0.69 CASP3 (0.38) RCE1GCGHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 EP disclosed