SCHEMBL2653809

SCHEMBL2653809

COC(=O)CCNC(=O)c1ccc(CCC(C)CSc2ccc(-c3ccc(CC(C)F)cc3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
GCG P01275 2/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MAPT P10636 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
ADCY6 O43306 1/20 0.34
ADCY3 O60266 1/20 0.34
ADCY9 O60503 1/20 0.34

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
SCHEMBL2655306 0.91 HRH3 (0.43) MCHR1NPC1RAB9ASMN1; SMN2HRH3
SCHEMBL2654314 0.86 TRPV1 (0.46) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL2653361 0.85 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL2654712 0.83 GCG (0.47) NPC1RAB9ASMN1; SMN2HRH3GCG
SCHEMBL2654684 0.79 GCGR (0.47) HRH3GCGADCY6ADCY3ADCY9
SCHEMBL2655295 0.78 FOLH1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL2656081 0.78 GCGR (0.55) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL2657309 0.77 ESRRG (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL2653963 0.77 CD274 (0.48) HRH3GCGGCGR
SCHEMBL2655487 0.77 GCG (0.60) NPC1RAB9ASMN1; SMN2HRH3GCG

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