SCHEMBL2654532

SCHEMBL2654532

COC(=O)CCNC(=O)c1ccc(CCCCCCCOc2ccc(Br)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.53
NPC1 O15118 7/20 0.52
RAB9A P51151 4/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL2654708 1.00 HSP90AA1 (0.53) HSP90AA1NPC1RAB9AKMT2AMEN1
SCHEMBL2655517 0.99 HSP90AA1 (0.54) HSP90AA1NPC1RAB9AKMT2AMEN1
SCHEMBL2653059 0.90 NPC1 (0.53) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL2661669 0.90 NPC1 (0.62) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL2652991 0.87 NPC1 (0.53) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL2655192 0.86 NPC1 (0.60) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL2652925 0.86 NPC1 (0.49) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL2655457 0.86 NPC1 (0.44) HSP90AA1NPC1RAB9AKMT2AMEN1
SCHEMBL2654356 0.85 NPC1 (0.53) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL2653784 0.85 NPC1 (0.53) NPC1RAB9AKMT2AMEN1MAPT

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-1758853-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO disclosed