SCHEMBL2669909

SCHEMBL2669909

Cc1c(C(Nc2ccc(C(=O)NCCC=O)cc2)C2CCCC2)sc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.41
GCG P01275 9/20 0.36
TP53 P04637 3/20 0.36
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PDE7A Q13946 1/20 0.34
MAPT P10636 2/20 0.34
CXCR4 P61073 1/20 0.34
GLP1R P43220 1/20 0.33
GIPR P48546 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL720038 0.88 GCGR (0.53) GCGRGCGGLP1RGIPR
SCHEMBL720571 0.88 GCGR (0.53) GCGRGCGGLP1RGIPR
SCHEMBL718203 0.85 GCGR (0.45) GCGRGCGTP53LMNAMAPT
SCHEMBL719279 0.84 GCGR (0.49) GCGRGCGGLP1RGIPR
SCHEMBL719280 0.83 GCGR (0.42) GCGRGCGTP53PDE7ACXCR4
SCHEMBL718249 0.83 RCE1 (0.44) GCGRTP53NPC1RAB9APDE7A
SCHEMBL720764 0.82 RCE1 (0.46) GCGRTP53POLBNPC1RAB9A
SCHEMBL717966 0.82 GCGR (0.48) GCGRGCGNPC1RAB9AGLP1R
SCHEMBL720271 0.81 ALDH1A1 (0.41) TP53LMNANPC1MAPTRXFP1
SCHEMBL718454 0.77 GCGR (0.38) GCGRGCG

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-2009110520-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-09-11 WO disclosed