Sugi Predict

Sugi Predict / Compounds / SCHEMBL540136

SCHEMBL540136

SCHEMBL540136

CC[C@@H](c1ccccc1I)N1Cc2cc3c(cc2C[C@H]1C(=O)NC(Cc1ccc(-c2ccc(N)nc2)cc1)C(=O)O)OC[C@H](c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)O3

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 20/20 0.79

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
SCHEMBL539815 0.94 GLP1R (0.88) GLP1R
SCHEMBL2016110 0.93 GLP1R (0.90) GLP1R
SCHEMBL2016115 0.93 GLP1R (0.90) GLP1R
SCHEMBL539713 0.89 GLP1R (0.89) GLP1R
SCHEMBL539712 0.89 GLP1R (0.89) GLP1R
SCHEMBL540606 0.88 GLP1R (1.00) GLP1R
SCHEMBL540607 0.88 GLP1R (1.00) GLP1R
SCHEMBL2020437 0.87 GLP1R (1.00) GLP1R
SCHEMBL2020442 0.87 GLP1R (1.00) GLP1R
SCHEMBL539969 0.86 GLP1R (0.91) GLP1R

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-2413693-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF TransTech Pharma, Inc (US) 2012-02-08 — — EP disclosed
WO-2010114824-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF TRANSTECH PHARMA INC (US) 2010-10-07 — — WO disclosed