SCHEMBL2653090

SCHEMBL2653090

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
EPHX2 P34913 10/20 0.37
GCGR P47871 3/20 0.35
TRPV1 Q8NER1 3/20 0.35
PPARD Q03181 1/20 0.35
POLQ O75417 1/20 0.34
PTGER4 P35408 1/20 0.33

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
SCHEMBL2652622 0.93 GCGR (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2653672 0.91 GCGR (0.39) HDAC1HDAC6EPHX2GCGRPPARD
SCHEMBL2653233 0.89 GCGR (0.43) EPHX2GCGR
SCHEMBL2654006 0.88 GCGR (0.35) GCGR
SCHEMBL2654266 0.85 GCGR (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2653132 0.84 GCGR (0.46) GCGRPPARD
SCHEMBL2653014 0.84 SMN1; SMN2 (0.36) EPHX2
SCHEMBL2654086 0.83 GCGR (0.40) EPHX2GCGRPPARD
SCHEMBL2653071 0.83 GCGR (0.39) EPHX2GCGRPPARD
SCHEMBL2653251 0.82 GCGR (0.37) HDAC3HDAC4HDAC1HDAC6EPHX2

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