SCHEMBL22167263

SCHEMBL22167263

CC(C)(C)c1ccc(C(=O)NC(Cc2ccc(-c3ncc(C4CCCCC4)cn3)cc2)C(=O)N2CC(C(=O)O)C2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR4 O95977 3/20 0.38
▸ S1PR1 P21453 3/20 0.38
▸ S1PR5 Q9H228 3/20 0.38
▸ S1PR3 Q99500 2/20 0.38
▸ PYGL P06737 1/20 0.36
▸ PRCP P42785 1/20 0.36
▸ ACKR3 P25106 1/20 0.35
▸ ITGA4 P13612 2/20 0.35
▸ ITGB7 P26010 2/20 0.35
▸ MAPK11 Q15759 2/20 0.35
▸ MAPK14 Q16539 2/20 0.35
▸ ITGB1 P05556 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ KDM1A O60341 1/20 0.33
▸ TPH1 P17752 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ PLG P00747 1/20 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
SCHEMBL17834771 0.95 S1PR1 (0.39) S1PR4S1PR1S1PR5S1PR3PYGL
SCHEMBL17532307 0.93 PYGL (0.35) S1PR4S1PR1S1PR5S1PR3PYGL
SCHEMBL17532372 0.91 F2 (0.34) S1PR4S1PR1S1PR5S1PR3PYGL
SCHEMBL19485602 0.91 PRCP (0.38) S1PR4S1PR1S1PR5S1PR3PRCP
SCHEMBL16295882 0.90 PYGL (0.38) S1PR4S1PR1S1PR5S1PR3PYGL
SCHEMBL16343488 0.90 PYGL (0.38) S1PR4S1PR1S1PR5S1PR3PYGL
SCHEMBL17834454 0.90 CYP3A4 (0.37) S1PR4S1PR1S1PR5S1PR3PYGL
SCHEMBL19485606 0.90 CYP3A4 (0.37) S1PR4S1PR1S1PR5S1PR3PYGL
SCHEMBL17834844 0.90 S1PR1 (0.35) S1PR4S1PR1S1PR5S1PR3PYGL
SCHEMBL17834841 0.90 S1PR1 (0.35) S1PR4S1PR1S1PR5S1PR3PYGL

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
Send feedback