SCHEMBL17834447

SCHEMBL17834447

CC(C)(I)c1ccc(C(=O)N[C@@H](Cc2ccc(-c3ncc(Br)cn3)cc2)C(=O)O)s1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 7/20 0.40
▸ ACE P12821 5/20 0.40
▸ ACE2 Q9BYF1 5/20 0.40
▸ KIFC1 Q9BW19 2/20 0.39
▸ CPA1 P15085 4/20 0.38
▸ HPGDS O60760 1/20 0.38
▸ ITGB1 P05556 8/20 0.38
▸ ITGA4 P13612 7/20 0.38
▸ ITGB7 P26010 6/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGAV P06756 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ ITGA5 P08648 1/20 0.38
▸ ITGB5 P18084 1/20 0.38
▸ PDK1 Q15118 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ PDK3 Q15120 1/20 0.36
▸ PDK4 Q16654 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
SCHEMBL15019919 0.92 MME (0.42) MMEACEACE2KIFC1CPA1
SCHEMBL15019922 0.92 MME (0.42) MMEACEACE2KIFC1CPA1
SCHEMBL17459538 0.84 ITGA4 (0.42) MMEACEACE2KIFC1CPA1
SCHEMBL17459539 0.84 ITGA4 (0.42) MMEACEACE2KIFC1CPA1
SCHEMBL17459639 0.83 MME (0.41) MMEHPGDS
SCHEMBL17459640 0.83 MME (0.41) MMEHPGDS
SCHEMBL16295098 0.83 MME (0.41) MMEHPGDS
SCHEMBL17968819 0.83 HPGDS (0.35) MMEACEACE2KIFC1HPGDS
SCHEMBL17459565 0.83 HPGDS (0.35) MMEACEACE2KIFC1HPGDS
SCHEMBL22449251 0.82 KIFC1 (0.43) MMEACEACE2KIFC1CPA1

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
WO-2016094729-A1 GLP-1 RECEPTOR MODULATORS CELGENE INTERNATIONAL II SARL (CH) 2016-06-16 — — WO disclosed
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