SCHEMBL2652991

SCHEMBL2652991

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.53
RAB9A P51151 5/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
TP53 P04637 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
RARB P10826 1/20 0.44

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
SCHEMBL2653847 0.90 NPC1 (0.57) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2661669 0.90 NPC1 (0.62) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2653745 0.90 GCGR (0.49) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2654356 0.90 NPC1 (0.53) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2653784 0.90 NPC1 (0.53) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2653990 0.89 MEN1 (0.56) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2654466 0.89 MEN1 (0.56) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2653848 0.89 RARB (0.48) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2655081 0.88 NPC1 (0.54) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2653059 0.88 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