SCHEMBL22167456

SCHEMBL22167456

CCCC1CCC(C2CC=C(c3cnc(-c4ccc(CC(NC(=O)c5ccc(C(C)(C)C)s5)C(=O)NCCO)cc4)nc3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 13/20 0.34
▸ PRSS1 P07477 10/20 0.34
▸ PRSS2 P07478 10/20 0.34
▸ PRSS3 P35030 10/20 0.34
▸ PLAU P00749 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KIFC1 Q9BW19 5/20 0.33
▸ BCHE P06276 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
SCHEMBL17532331 0.94 L3MBTL1 (0.34) PLGPRSS1PRSS2PRSS3PLAU
SCHEMBL22167260 0.92 L3MBTL1 (0.32) PLGPRSS1PRSS2PRSS3PLAU
SCHEMBL22167457 0.92 PLG (0.31) PLGPRSS1PRSS2PRSS3PLAU
SCHEMBL22167479 0.91 KIFC1 (0.35) KIFC1
SCHEMBL17539189 0.91 KIFC1 (0.35) KIFC1
SCHEMBL19695865 0.91 HPGDS (0.33) —
SCHEMBL17532332 0.90 PSMB2 (0.33) KIFC1
SCHEMBL17459567 0.90 MME (0.32) KIFC1
SCHEMBL19695848 0.90 MME (0.32) KIFC1
SCHEMBL17532357 0.89 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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