SCHEMBL2653847

SCHEMBL2653847

CCc1ccc(-c2ccc(OCCCCCCCc3ccc(C(=O)NCCC(=O)O)cc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
S1PR1 P21453 4/20 0.56
S1PR3 Q99500 2/20 0.56
S1PR5 Q9H228 1/20 0.56
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
GCGR P47871 1/20 0.53
FFAR1 O14842 1/20 0.51
RARB P10826 3/20 0.48
HRH3 Q9Y5N1 1/20 0.48
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL2655880 0.93 NPC1 (0.56) NPC1RAB9AMEN1KMT2AS1PR1
SCHEMBL2654170 0.92 NPC1 (0.64) NPC1RAB9AMEN1KMT2AS1PR1
SCHEMBL2652991 0.90 NPC1 (0.53) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2653359 0.90 S1PR1 (0.55) NPC1RAB9AMEN1KMT2AS1PR1
SCHEMBL2656631 0.90 NPC1 (0.67) NPC1RAB9AMEN1KMT2AS1PR1
SCHEMBL2654883 0.90 NPC1 (0.67) NPC1RAB9AMEN1KMT2AS1PR1
SCHEMBL2652619 0.90 GCGR (0.51) NPC1RAB9AMEN1KMT2AS1PR1
SCHEMBL2655220 0.89 NPC1 (0.57) NPC1RAB9AMEN1KMT2AS1PR1
SCHEMBL2656581 0.89 NPC1 (0.57) NPC1RAB9AMEN1KMT2AS1PR1
SCHEMBL2655124 0.89 NPC1 (0.57) NPC1RAB9AMEN1KMT2AS1PR1

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 4 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 claimed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO claimed
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