SCHEMBL22167228

SCHEMBL22167228

CCCc1ccc(C(=O)NC(Cc2ccc(-c3ncc(C4=CCC(C5CCC(CCC)CC5)CC4)cn3)cc2)C(=O)N2CC(C(=O)O)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ S1PR4 O95977 2/20 0.35
▸ S1PR1 P21453 2/20 0.35
▸ S1PR5 Q9H228 2/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ MAPK14 Q16539 8/20 0.33
▸ DDR1 Q08345 3/20 0.33
▸ DDR2 Q16832 3/20 0.33
▸ MAPK11 Q15759 2/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ MAP3K20 Q9NYL2 1/20 0.33
▸ MAP3K4 Q9Y6R4 1/20 0.33
▸ PYGL P06737 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ITGB3 P05106 2/20 0.31
▸ ITGA2B P08514 2/20 0.31
▸ MC4R P32245 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL17532289 1.00 S1PR4 (0.35) S1PR4S1PR1S1PR5S1PR3MAPK14
SCHEMBL17532290 0.95 PYGL (0.33) S1PR1S1PR5MAPK14DDR1DDR2
SCHEMBL17532291 0.94 S1PR1 (0.36) S1PR4S1PR1S1PR5S1PR3MAPK14
SCHEMBL22167480 0.94 S1PR1 (0.36) S1PR4S1PR1S1PR5S1PR3MAPK14
SCHEMBL17532298 0.94 PYGL (0.33) MAPK14DDR1DDR2MAPK11ABL1
SCHEMBL22167389 0.94 MAPK14 (0.35) S1PR4S1PR1S1PR5S1PR3MAPK14
SCHEMBL22167489 0.94 S1PR4 (0.36) S1PR4S1PR1S1PR5S1PR3MAPK14
SCHEMBL19181503 0.94 S1PR4 (0.36) S1PR4S1PR1S1PR5S1PR3MAPK14
SCHEMBL17492911 0.94 S1PR4 (0.36) S1PR4S1PR1S1PR5S1PR3MAPK14
SCHEMBL17468520 0.94 MAPK14 (0.35) S1PR4S1PR1S1PR5S1PR3MAPK14

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