SCHEMBL22167461

SCHEMBL22167461

CC1CCCC=C1c1cnc(-c2ccc(CC(NC(=O)c3ccc(C(C)(C)C)s3)C(=O)N3CC(C(=O)O)C3)cc2)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 1/20 0.35
▸ PYGL P06737 1/20 0.33
▸ ACKR3 P25106 1/20 0.33
▸ ITGA4 P13612 2/20 0.32
▸ ITGB7 P26010 2/20 0.32
▸ ITGB1 P05556 1/20 0.32
▸ MAPK11 Q15759 2/20 0.31
▸ MAPK14 Q16539 2/20 0.31
▸ S1PR1 P21453 5/20 0.31
▸ S1PR4 O95977 3/20 0.31
▸ S1PR5 Q9H228 3/20 0.31
▸ S1PR3 Q99500 3/20 0.31
▸ ITGB3 P05106 1/20 0.30
▸ ITGA2B P08514 1/20 0.30
▸ MC4R P32245 1/20 0.30
▸ MC5R P33032 1/20 0.30
▸ MC3R P41968 1/20 0.30
▸ MC1R Q01726 1/20 0.30
▸ PLG P00747 1/20 0.30
▸ PLAU P00749 1/20 0.30

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 0.88 PYGL (0.34) PRCPPYGLACKR3ITGA4ITGB7
SCHEMBL17834564 0.87 PYGL (0.41) PRCPPYGLITGA4ITGB7ITGB1
SCHEMBL22167263 0.86 S1PR4 (0.38) PRCPPYGLACKR3ITGA4ITGB7
SCHEMBL16295882 0.86 PYGL (0.38) PRCPPYGLITGA4ITGB7ITGB1
SCHEMBL16343488 0.86 PYGL (0.38) PRCPPYGLITGA4ITGB7ITGB1
SCHEMBL16294409 0.85 ITGB3 (0.38) PRCPPYGLS1PR1S1PR4S1PR5
SCHEMBL16343238 0.85 ITGB3 (0.38) PRCPPYGLS1PR1S1PR4S1PR5
SCHEMBL16305700 0.85 S1PR4 (0.39) PRCPPYGLITGA4ITGB7S1PR1
SCHEMBL17834771 0.85 S1PR1 (0.39) PRCPPYGLACKR3ITGA4ITGB7
SCHEMBL16306128 0.84 ITGB1 (0.39) PRCPPYGLITGA4ITGB7ITGB1

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