SCHEMBL19485661

SCHEMBL19485661

CC(C)(C)c1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)s4)C(O)N[C@H](CCC(=O)O)C(=O)O)cc3)nc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 3/20 0.37
▸ ADCY6 O43306 2/20 0.36
▸ ADCY3 O60266 2/20 0.36
▸ ADCY9 O60503 2/20 0.36
▸ ADCY5 O95622 2/20 0.36
▸ ADCY8 P40145 2/20 0.36
▸ ADCY7 P51828 2/20 0.36
▸ ADCY2 Q08462 2/20 0.36
▸ ADCY1 Q08828 2/20 0.36
▸ ADCY4 Q8NFM4 2/20 0.36
▸ DHFR P00374 3/20 0.35
▸ ADAMTS5 Q9UNA0 2/20 0.35
▸ ADAMTS4 O75173 1/20 0.35
▸ MME P08473 3/20 0.35
▸ TYMS P04818 2/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP8 P22894 1/20 0.34
▸ MMP12 P39900 1/20 0.34
▸ DGAT1 O75907 1/20 0.34
▸ NR1H4 Q96RI1 2/20 0.33

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
SCHEMBL20426109 0.95 MME (0.34) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL22449029 0.92 MME (0.35) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL22449139 0.92 MME (0.36) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL22449182 0.92 MME (0.36) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL22449274 0.91 CA2 (0.34) GCGRMMEDGAT1KIFC1
SCHEMBL22449186 0.87 HPGD (0.41) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL15037083 0.87 HPGD (0.41) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL15037080 0.87 HPGD (0.41) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL17834867 0.84 KIFC1 (0.43) MMEDGAT1ACEACE2KIFC1
SCHEMBL15037392 0.84 KIFC1 (0.43) MMEDGAT1ACEACE2KIFC1

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-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 — — US disclosed
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