SCHEMBL2654883

SCHEMBL2654883

CCCCCOc1ccc(OCCCCCCCc2ccc(C(=O)NCCC(=O)O)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
MAPT P10636 1/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
S1PR1 P21453 5/20 0.59
S1PR3 Q99500 2/20 0.59
S1PR5 Q9H228 1/20 0.59
S1PR4 O95977 1/20 0.56
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
FFAR1 O14842 1/20 0.54

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
SCHEMBL2656631 1.00 NPC1 (0.67) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2654170 0.95 NPC1 (0.64) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2653847 0.90 NPC1 (0.57) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2661669 0.90 NPC1 (0.62) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2654896 0.89 S1PR1 (0.60) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2651554 0.89 SMN1; SMN2 (0.58) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2657107 0.89 S1PR1 (0.66) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2655880 0.89 NPC1 (0.56) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL3197299 0.89 NPC1 (0.69) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL13418360 0.89 S1PR1 (0.65) 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 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