SCHEMBL2656581

SCHEMBL2656581

CC(C)(C)c1ccc(-c2ccc(OCCCCCCCc3ccc(C(=O)NCCC(=O)O)cc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
POLB P06746 1/20 0.57
CASP3 P42574 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
NR1H4 Q96RI1 4/20 0.54
EPHX2 P34913 3/20 0.54
ESRRG P62508 3/20 0.54
S1PR1 P21453 3/20 0.54
S1PR3 Q99500 1/20 0.54
S1PR5 Q9H228 1/20 0.54
GCGR P47871 3/20 0.53
ADCY6 O43306 2/20 0.53
ADCY3 O60266 2/20 0.53
ADCY9 O60503 2/20 0.53
ADCY5 O95622 2/20 0.53
ADCY8 P40145 2/20 0.53
ADCY7 P51828 2/20 0.53
ADCY2 Q08462 2/20 0.53
ADCY1 Q08828 2/20 0.53

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
SCHEMBL2655124 1.00 NPC1 (0.57) NPC1RAB9APOLBCASP3SENP7
SCHEMBL2655220 1.00 NPC1 (0.57) NPC1RAB9APOLBCASP3SENP7
SCHEMBL2654702 0.99 NPC1 (0.58) NPC1RAB9APOLBCASP3SENP7
SCHEMBL2654593 0.96 NPC1 (0.59) NPC1RAB9APOLBCASP3SENP7
SCHEMBL2654572 0.93 NR4A2 (0.56) NPC1RAB9APOLBCASP3SENP7
SCHEMBL2654356 0.91 NPC1 (0.53) NPC1RAB9APOLBCASP3SENP7
SCHEMBL2653784 0.91 NPC1 (0.53) NPC1RAB9APOLBCASP3SENP7
SCHEMBL2655081 0.90 NPC1 (0.54) NPC1RAB9APOLBCASP3SENP7
SCHEMBL2653574 0.90 MEN1 (0.55) NPC1RAB9AEPHX2S1PR1S1PR3
SCHEMBL2654122 0.90 MEN1 (0.55) NPC1RAB9AEPHX2S1PR1S1PR3

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