SCHEMBL22167468

SCHEMBL22167468

CC(C)c1ccc(C(=O)NC(Cc2ccc(-c3ncc(C4=CCCCC4)cn3)cc2)C(=O)N2CC(C(=O)O)C2)s1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 1/20 0.35
▸ PLG P00747 1/20 0.33
▸ PLAU P00749 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ C3AR1 Q16581 3/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ S1PR5 Q9H228 1/20 0.33
▸ ITGA4 P13612 3/20 0.32
▸ ITGB7 P26010 3/20 0.32
▸ ITGB1 P05556 2/20 0.32
▸ AXL P30530 1/20 0.32
▸ MERTK Q12866 1/20 0.32
▸ HPGDS O60760 1/20 0.32
▸ LNPEP Q9UIQ6 1/20 0.31
▸ TTK P33981 1/20 0.31

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
SCHEMBL20026814 0.89 PYGL (0.34) PYGLNPC1ITGA4ITGB7ITGB1
SCHEMBL17532353 0.85 F2 (0.32) PYGLPLGPLAUF10C3AR1
SCHEMBL17532288 0.84 PYGL (0.31) PYGLC3AR1S1PR4S1PR1S1PR3
SCHEMBL22167469 0.84 S1PR1 (0.36) PYGLS1PR4S1PR1S1PR3S1PR5
SCHEMBL22167407 0.83 S1PR4 (0.39) PYGLNPC1S1PR4S1PR1S1PR3
SCHEMBL17834435 0.81 S1PR1 (0.34) PYGLPLGPLAUF10C3AR1
SCHEMBL17532306 0.80 PYGL (0.33) PYGLPLGPLAUF10NPC1
SCHEMBL17834938 0.80 KIFC1 (0.36) PYGLC3AR1S1PR4S1PR1S1PR3
SCHEMBL20026803 0.80 PRCP (0.32) PYGLPLGPLAUF10NPC1
SCHEMBL17532336 0.80 PRCP (0.32) PYGLPLGPLAUF10NPC1

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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