SCHEMBL2655097

SCHEMBL2655097

COC(=O)CCNC(=O)c1ccc(CCC(C)COc2ccc(-c3ccc(C(C)C)cc3)c(Cl)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MCHR1 Q99705 1/20 0.41
GCGR P47871 7/20 0.41
ADCY6 O43306 2/20 0.41
ADCY3 O60266 2/20 0.41
ADCY9 O60503 2/20 0.41
ADCY5 O95622 2/20 0.41
ADCY8 P40145 2/20 0.41
ADCY7 P51828 2/20 0.41
ADCY2 Q08462 2/20 0.41
ADCY1 Q08828 2/20 0.41
ADCY4 Q8NFM4 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL2654806 0.92 GCGR (0.49) RAB9ASMN1; SMN2NPC1GCGRADCY6
SCHEMBL2656241 0.91 PPARD (0.42) MCHR1GCGRADCY6ADCY3ADCY9
SCHEMBL2654250 0.89 NPC1 (0.41) RAB9ASMN1; SMN2NPC1ALDH1A1MCHR1
SCHEMBL2654953 0.89 RAB9A (0.40) RAB9ASMN1; SMN2NPC1ALDH1A1GCGR
SCHEMBL2655241 0.84 GCG (0.45) RAB9ASMN1; SMN2NPC1ALDH1A1GCGR
SCHEMBL2654785 0.84 NPC1 (0.44) RAB9ASMN1; SMN2NPC1ALDH1A1GCGR
SCHEMBL2655131 0.84 GCG (0.44) RAB9ASMN1; SMN2NPC1ALDH1A1GCGR
SCHEMBL2654589 0.83 GCGR (0.48) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654789 0.83 GCG (0.44) RAB9ASMN1; SMN2NPC1ALDH1A1GCGR
SCHEMBL2654759 0.82 GCG (0.40) RAB9ASMN1; SMN2NPC1ALDH1A1GCGR

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