SCHEMBL22167229

SCHEMBL22167229

CCCCCC1CCC(C2CC=C(c3cnc(-c4ccc(CC(NC(=O)c5ccc(C(C)(C)C)s5)C(=O)NCC(=O)O)cc4)nc3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 12/20 0.33
▸ PRSS1 P07477 12/20 0.33
▸ PRSS2 P07478 10/20 0.33
▸ PRSS3 P35030 10/20 0.33
▸ PLAU P00749 2/20 0.33
▸ ITGB3 P05106 2/20 0.32
▸ ITGA2B P08514 2/20 0.32
▸ MAPK14 Q16539 3/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ F10 P00742 2/20 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
SCHEMBL22167260 0.96 L3MBTL1 (0.32) PLGPRSS1PRSS2PRSS3PLAU
SCHEMBL22167265 0.94 KLKB1 (0.31) PLGPRSS1PRSS2PRSS3L3MBTL1
SCHEMBL17539194 0.91 ITGB3 (0.33) PLGPRSS1PRSS2PRSS3PLAU
SCHEMBL17532331 0.90 L3MBTL1 (0.34) PLGPRSS1PRSS2PRSS3PLAU
SCHEMBL22167457 0.89 PLG (0.31) PLGPRSS1PRSS2PRSS3PLAU
SCHEMBL22167456 0.89 PLG (0.34) PLGPRSS1PRSS2PRSS3PLAU
SCHEMBL17539189 0.88 KIFC1 (0.35) ITGB3ITGA2B
SCHEMBL22167479 0.88 KIFC1 (0.35) ITGB3ITGA2B
SCHEMBL17532357 0.88 L3MBTL1 (0.33) PLGPRSS1PRSS2PRSS3PLAU
SCHEMBL22167413 0.88 L3MBTL1 (0.33) PLGPRSS1PRSS2PRSS3PLAU

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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