SCHEMBL22167493

SCHEMBL22167493

CC(C)(C)c1ccc(C(=O)NC(Cc2ccc(-c3ncc(C4=CCCCC4)cn3)cc2)C(=O)O)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIFC1 Q9BW19 2/20 0.37
▸ MME P08473 4/20 0.36
▸ ACE P12821 2/20 0.36
▸ ACE2 Q9BYF1 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GCGR P47871 1/20 0.35
▸ GIPR P48546 1/20 0.35
▸ HPGDS O60760 1/20 0.35
▸ ITGB1 P05556 6/20 0.34
▸ ITGA4 P13612 5/20 0.34
▸ ITGB7 P26010 4/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGAV P06756 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ ITGA5 P08648 1/20 0.34
▸ ITGB5 P18084 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ CPA1 P15085 1/20 0.34

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
SCHEMBL20026746 0.93 HPGDS (0.38) MMEGCGRGIPRHPGDSLNPEP
SCHEMBL17532315 0.92 MME (0.36) MMEGCGRGIPRHPGDSLNPEP
SCHEMBL17532329 0.90 MME (0.36) MMEHPGDSLNPEP
SCHEMBL22167463 0.90 GCGR (0.32) GCGRGIPRHPGDSLNPEP
SCHEMBL20026814 0.88 PYGL (0.34) GCGRGIPRHPGDSITGB1ITGA4
SCHEMBL22167488 0.86 ITGA4 (0.35) KIFC1MMEACEACE2ITGB1
SCHEMBL17532369 0.86 ITGA4 (0.35) KIFC1MMEACEACE2ITGB1
SCHEMBL22167460 0.86 PRCP (0.35) ITGB3ITGA2B
SCHEMBL15019919 0.85 MME (0.42) KIFC1MMEACEACE2HPGDS
SCHEMBL15019922 0.85 MME (0.42) KIFC1MMEACEACE2HPGDS

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-3172199-B1 PYRIMIDINE DERIVATIVES AS GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-07-01 — — EP disclosed
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