SCHEMBL14039367

SCHEMBL14039367

Cc1ccc(Oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2C(C)Cc2ccc(C(=O)NCCC(=O)O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCGR P47871 20/20 0.50
ADCY6 O43306 1/20 0.50
ADCY3 O60266 1/20 0.50
ADCY9 O60503 1/20 0.50
ADCY5 O95622 1/20 0.50
ADCY8 P40145 1/20 0.50
ADCY7 P51828 1/20 0.50
ADCY2 Q08462 1/20 0.50
ADCY1 Q08828 1/20 0.50
ADCY4 Q8NFM4 1/20 0.50
GIPR P48546 3/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2C9 P11712 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL2667122 0.97 GCGR (0.53) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL14039403 0.93 GCGR (0.51) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL14039411 0.90 GCGR (0.52) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2666922 0.86 GCGR (0.55) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL14039372 0.83 GCGR (0.52) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL14039369 0.80 GCGR (0.58) GCGR
SCHEMBL14039408 0.80 GCGR (0.53) GCGR
SCHEMBL14039360 0.78 GCGR (0.55) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL14039358 0.78 GCGR (0.53) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL14039371 0.78 GCGR (0.54) GCGRADCY6ADCY3ADCY9ADCY5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318760-B2 Type 2 diabetes, atherosclerosis; compounds are N-(2-carboxyethyl)benzamides or N-tetrazolyl derivatives of benzamides; glucagon antagonists MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed