SCHEMBL22449182

SCHEMBL22449182

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 4/20 0.36
▸ DGAT1 O75907 1/20 0.35
▸ KIFC1 Q9BW19 2/20 0.34
▸ COPS5 Q92905 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ ACE P12821 2/20 0.32
▸ ACE2 Q9BYF1 1/20 0.32
▸ GCGR P47871 2/20 0.32
▸ ADCY6 O43306 1/20 0.32
▸ ADCY3 O60266 1/20 0.32
▸ ADCY9 O60503 1/20 0.32
▸ ADCY5 O95622 1/20 0.32
▸ ADCY8 P40145 1/20 0.32
▸ ADCY7 P51828 1/20 0.32
▸ ADCY2 Q08462 1/20 0.32
▸ ADCY1 Q08828 1/20 0.32
▸ ADCY4 Q8NFM4 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ F9 P00740 1/20 0.32

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
SCHEMBL22449139 0.94 MME (0.36) MMEDGAT1KIFC1COPS5MCL1
SCHEMBL22449029 0.93 MME (0.35) MMEDGAT1KIFC1COPS5MCL1
SCHEMBL19485661 0.92 GCGR (0.37) MMEDGAT1KIFC1ACEACE2
SCHEMBL20426109 0.91 MME (0.34) MMEDGAT1KIFC1COPS5MCL1
SCHEMBL22449274 0.90 CA2 (0.34) MMEDGAT1KIFC1GCGRALDH1A1
SCHEMBL17968745 0.86 KIFC1 (0.43) MMEDGAT1KIFC1MCL1ACE
SCHEMBL15037133 0.86 KIFC1 (0.43) MMEDGAT1KIFC1MCL1ACE
SCHEMBL17834867 0.86 KIFC1 (0.43) MMEDGAT1KIFC1MCL1ACE
SCHEMBL15037392 0.86 KIFC1 (0.43) MMEDGAT1KIFC1MCL1ACE
SCHEMBL22384390 0.86 KLKB1 (0.39) MMEDGAT1KIFC1MCL1ACE

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
EP-2791112-B1 CARBOXYLIC ACID DERIVATIVES COMPRISING FOUR CYCLES ACTING AS GLP-1 RECEPTOR MODULATORS FOR THERAPY OF DISEASES SUCH AS DIABETES CELGENE INT II SÀRL (CH) 2020-09-23 — — EP disclosed
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