SCHEMBL2652622

SCHEMBL2652622

Cc1cc(OCC(C)Cc2ccc(C(=O)NCCC(=O)O)s2)cc(C)c1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 18/20 0.42
GIPR P48546 4/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
KCNH2 Q12809 1/20 0.38
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
PPARD Q03181 1/20 0.38
ADCY6 O43306 1/20 0.38
ADCY3 O60266 1/20 0.38

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
SCHEMBL2653090 0.93 HDAC3 (0.38) GCGRHDAC3HDAC4HDAC1HDAC7
SCHEMBL2654266 0.92 GCGR (0.43) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL2653132 0.91 GCGR (0.46) GCGRGIPRPPARD
SCHEMBL2654374 0.88 GCGR (0.51) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL2653891 0.88 GCGR (0.42) GCGRGIPR
SCHEMBL2654118 0.85 FFAR4 (0.42) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL2653672 0.84 GCGR (0.39) GCGRGIPRHDAC1HDAC6PPARD
SCHEMBL2652643 0.83 GCGR (0.46) GCGRGIPRPPARD
SCHEMBL2654440 0.83 GCGR (0.47) GCGRGIPRPPARD
SCHEMBL2655260 0.82 GCGR (0.45) GCGRGIPRPPARD

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