SCHEMBL2652925

SCHEMBL2652925

C=CCOc1ccc(OCCCCCCCc2ccc(C(=O)NCCC(=O)OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.49
RAB9A P51151 8/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.43
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 1/20 0.43
S1PR5 Q9H228 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL2656440 0.89 S1PR1 (0.56) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2661669 0.87 NPC1 (0.62) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2653059 0.87 NPC1 (0.53) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2654708 0.86 HSP90AA1 (0.53) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2654532 0.86 HSP90AA1 (0.53) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2655517 0.85 HSP90AA1 (0.54) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2652991 0.84 NPC1 (0.53) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2655192 0.83 NPC1 (0.60) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2654356 0.82 NPC1 (0.53) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2653784 0.82 NPC1 (0.53) NPC1RAB9AMEN1KMT2AMAPT

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