SCHEMBL2655880

SCHEMBL2655880

CCc1ccc(COc2ccc(OCCCCCCCc3ccc(C(=O)NCCC(=O)O)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
S1PR1 P21453 4/20 0.55
S1PR3 Q99500 2/20 0.55
S1PR5 Q9H228 1/20 0.55
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
RXRA P19793 1/20 0.52
RXRB P28702 1/20 0.52
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51

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 0.93 NPC1 (0.57) NPC1RAB9AMEN1KMT2AS1PR1
SCHEMBL2654768 0.91 S1PR1 (0.66) NPC1RAB9AMEN1KMT2AS1PR1
SCHEMBL2654572 0.90 NR4A2 (0.56) NPC1RAB9AMEN1KMT2AS1PR1
SCHEMBL2654437 0.89 S1PR1 (0.55) NPC1RAB9AMEN1KMT2AS1PR1
SCHEMBL2654665 0.89 FFAR1 (0.59) NPC1RAB9AMEN1KMT2AS1PR1
SCHEMBL2656088 0.89 S1PR1 (0.55) NPC1RAB9AMEN1KMT2AS1PR1
SCHEMBL2656631 0.89 NPC1 (0.67) NPC1RAB9AMEN1KMT2AS1PR1
SCHEMBL2654883 0.89 NPC1 (0.67) NPC1RAB9AMEN1KMT2AS1PR1
SCHEMBL2655267 0.89 RXRA (0.55) NPC1RAB9AMEN1KMT2AS1PR1
SCHEMBL2653298 0.88 FFAR1 (0.60) 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