SCHEMBL22167265

SCHEMBL22167265

CCC1CCC(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 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PRSS1 P07477 4/20 0.31
▸ F10 P00742 2/20 0.31
▸ PLG P00747 2/20 0.30
▸ PRSS2 P07478 2/20 0.30
▸ PRSS3 P35030 2/20 0.30
▸ KIFC1 Q9BW19 1/20 0.30
▸ SRC P12931 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
SCHEMBL22167260 0.95 L3MBTL1 (0.32) KLKB1L3MBTL1PRSS1F10PLG
SCHEMBL22167229 0.94 PLG (0.33) L3MBTL1PRSS1F10PLGPRSS2
SCHEMBL22167413 0.94 L3MBTL1 (0.33) L3MBTL1PRSS1PLGPRSS2PRSS3
SCHEMBL17532357 0.94 L3MBTL1 (0.33) L3MBTL1PRSS1PLGPRSS2PRSS3
SCHEMBL17468487 0.92 KIFC1 (0.34) KIFC1
SCHEMBL17532368 0.92 KIFC1 (0.34) KIFC1
SCHEMBL19695867 0.92 KIFC1 (0.34) KIFC1
SCHEMBL17532330 0.91 MME (0.32) SRC
SCHEMBL17532356 0.91 MME (0.32) SRC
SCHEMBL17492932 0.90 PSMB2 (0.33) —

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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