SCHEMBL4960058

SCHEMBL4960058

Cc1ccccc1N(c1cccnc1)[C@@H](C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.44
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
KCNA5 P22460 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 2/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
TSHR P16473 1/20 0.36
TBXAS1 P24557 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADAMTS4 O75173 1/20 0.36

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
SCHEMBL5692597 0.81 TRPM8 (0.42) LMNAL3MBTL1
SCHEMBL16585492 0.75 HTT (0.43) NOTUMGAAHTTKCNA5KDM4E
SCHEMBL16585493 0.75 HTT (0.43) NOTUMGAAHTTKCNA5KDM4E
SCHEMBL16876656 0.74 HTT (0.42) NOTUMGAAHTTKCNA5KDM4E
SCHEMBL2011662 0.74 HTT (0.42) NOTUMGAAHTTKCNA5KDM4E
SCHEMBL2011663 0.74 HTT (0.42) NOTUMGAAHTTKCNA5KDM4E
SCHEMBL30895153 0.74 HTT (0.42) NOTUMGAAHTTKCNA5KDM4E
SCHEMBL7769274 0.73 HTT (0.44) GAAHTTKCNA5KDM4ELMNA
SCHEMBL7754416 0.71 F7 (0.45) GAAHTTKCNA5KDM4EAKR1C3
SCHEMBL13338411 0.71 CFTR (0.47) HTTKCNA5KDM4ELMNASMN1; SMN2

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-1883652-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2008-02-06 EP disclosed
WO-2006127948-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-30 WO disclosed