SCHEMBL22167454

SCHEMBL22167454

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PSMB2 P49721 9/20 0.33
▸ PSMB10 P40306 8/20 0.33
▸ KLKB1 P03952 2/20 0.31
▸ KIFC1 Q9BW19 2/20 0.31
▸ MME P08473 1/20 0.30
▸ ACE P12821 1/20 0.30
▸ CPA1 P15085 1/20 0.30
▸ ACE2 Q9BYF1 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
SCHEMBL17532335 1.00 PSMB2 (0.33) PSMB2PSMB10KLKB1KIFC1MME
SCHEMBL17532332 0.94 PSMB2 (0.33) PSMB2PSMB10KLKB1KIFC1
SCHEMBL17539189 0.93 KIFC1 (0.35) PSMB2KIFC1MMEACEACE2
SCHEMBL22167479 0.93 KIFC1 (0.35) PSMB2KIFC1MMEACEACE2
SCHEMBL17459567 0.92 MME (0.32) PSMB2PSMB10KIFC1MME
SCHEMBL19695848 0.92 MME (0.32) PSMB2PSMB10KIFC1MME
SCHEMBL17532334 0.91 DGAT1 (0.33) PSMB2PSMB10
SCHEMBL17532333 0.90 ENPP2 (0.31) PSMB2PSMB10
SCHEMBL17532337 0.90 ANPEP (0.35) —
SCHEMBL22167260 0.89 L3MBTL1 (0.32) KLKB1KIFC1

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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