SCHEMBL2654724

SCHEMBL2654724

Cc1cc(OCC(C)(C)CCCc2ccc(C(=O)NCCC(=O)O)cc2)cnc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 20/20 0.50
▸ GIPR P48546 4/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C8 P10632 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ ADCY6 O43306 1/20 0.45
▸ ADCY3 O60266 1/20 0.45
▸ ADCY9 O60503 1/20 0.45
▸ ADCY5 O95622 1/20 0.45
▸ ADCY8 P40145 1/20 0.45
▸ ADCY7 P51828 1/20 0.45
▸ ADCY2 Q08462 1/20 0.45
▸ ADCY1 Q08828 1/20 0.45
▸ ADCY4 Q8NFM4 1/20 0.45
▸ GLP1R P43220 1/20 0.44

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
SCHEMBL2656558 0.92 GCGR (0.45) GCGRGIPRGLP1R
SCHEMBL2654807 0.88 GCGR (0.45) GCGRGIPR
SCHEMBL2655085 0.88 GCGR (0.46) GCGRGIPRGLP1R
SCHEMBL2655300 0.85 GCGR (0.53) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL2654727 0.81 GCGR (0.55) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL2653305 0.81 MEN1 (0.48) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL2656186 0.81 GCG (0.49) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL1765769 0.79 GCGR (0.60) GCGRGLP1R
SCHEMBL2657400 0.79 GCG (0.50) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL2655470 0.79 GCGR (0.49) GCGRGIPRCYP3A4CYP2C8CYP2C9

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 claimed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 — — WO claimed
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