SCHEMBL3244651

SCHEMBL3244651

CCc1sc(CC(C)C)cc1C(Oc1ccccc1C(=O)NCCC(=O)O)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HIF1A Q16665 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GCG P01275 1/20 0.36
HCRTR1 O43613 2/20 0.36
HCN1 O60741 2/20 0.36
HCN4 Q9Y3Q4 2/20 0.36
PRMT5 O14744 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL3238643 0.88 NPSR1 (0.43) NPSR1KMT2AMEN1HIF1ANPC1
SCHEMBL3110015 0.85 GCGR (0.47) NPSR1NPC1RAB9AGCG
SCHEMBL3093822 0.76 GCG (0.45) GCG
SCHEMBL3102494 0.75 SMN1; SMN2 (0.36) NPSR1KMT2AMEN1NPC1RAB9A
SCHEMBL3108936 0.75 KMT2A (0.40) NPSR1KMT2AMEN1NPC1RAB9A
SCHEMBL3094147 0.72 GCGR (0.49) NPSR1KMT2AMEN1NPC1RAB9A
SCHEMBL3244452 0.71 HPGD (0.43) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL3110265 0.71 GCGR (0.47) NPSR1NPC1RAB9AALDH1A1GCG
SCHEMBL3109044 0.68 GCGR (0.55) GCG
SCHEMBL3090137 0.67 GCGR (0.43) NPSR1NPC1RAB9AGCG

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