SCHEMBL2653233

SCHEMBL2653233

COC(=O)CCNC(=O)c1ccc(CC(C)COc2cc(C)c(-c3ccc(C(C)(C)C)cc3)c(C)c2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.43
ACKR3 P25106 1/20 0.34
VDR P11473 1/20 0.33
MAPT P10636 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 2/20 0.32
POLB P06746 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EPHX2 P34913 1/20 0.32
ADCY6 O43306 1/20 0.31
ADCY3 O60266 1/20 0.31
ADCY9 O60503 1/20 0.31
ADCY5 O95622 1/20 0.31

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
SCHEMBL2653672 0.93 GCGR (0.39) GCGRMAPTSMN1; SMN2EPHX2MCL1
SCHEMBL2654374 0.92 GCGR (0.51) GCGRACKR3VDRKMT2AADCY6
SCHEMBL2652401 0.90 GCGR (0.35) GCGRACKR3VDRL3MBTL1NPC1
SCHEMBL2654006 0.90 GCGR (0.35) GCGRMAPTS1PR1S1PR3SMN1; SMN2
SCHEMBL2653090 0.89 HDAC3 (0.38) GCGREPHX2
SCHEMBL2666495 0.88 GCGR (0.44) GCGRACKR3VDRMAPTL3MBTL1
SCHEMBL2654238 0.86 GCGR (0.43) GCGRACKR3VDRMAPTL3MBTL1
SCHEMBL2654671 0.86 GCGR (0.39) GCGRACKR3VDRMAPTMEN1
SCHEMBL2652524 0.86 GCGR (0.36) GCGRACKR3MAPTNPC1POLB
SCHEMBL2654872 0.85 GCGR (0.42) GCGRACKR3VDRMAPTL3MBTL1

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-1856090-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-11-21 EP disclosed
WO-2006086488-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-08-17 WO disclosed