SCHEMBL22167453

SCHEMBL22167453

CCCC1CCC(C2CCC(c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C(C)(C)C)s5)C(=O)N[C@@H](CCN)C(=O)O)cc4)nc3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PSMB2 P49721 10/20 0.35
▸ PSMB10 P40306 9/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KLKB1 P03952 3/20 0.33
▸ KIFC1 Q9BW19 2/20 0.33
▸ MME P08473 1/20 0.33
▸ ACE P12821 1/20 0.33
▸ CPA1 P15085 1/20 0.33
▸ ACE2 Q9BYF1 1/20 0.33
▸ PLG P00747 2/20 0.31
▸ PRSS1 P07477 2/20 0.31
▸ PRSS2 P07478 2/20 0.31
▸ PRSS3 P35030 2/20 0.31
▸ ITGB3 P05106 1/20 0.31
▸ ITGA2B P08514 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
SCHEMBL17468562 0.91 ALDH1A1 (0.35) PSMB2PSMB10ALDH1A1LMNAMAPT
SCHEMBL17834946 0.91 ITGB3 (0.39) PSMB2PSMB10KIFC1ITGB3ITGA2B
SCHEMBL19485626 0.91 ITGB3 (0.39) PSMB2PSMB10KIFC1ITGB3ITGA2B
SCHEMBL22167454 0.89 PSMB2 (0.33) PSMB2PSMB10KLKB1KIFC1MME
SCHEMBL17532335 0.89 PSMB2 (0.33) PSMB2PSMB10KLKB1KIFC1MME
SCHEMBL22167483 0.88 ALDH1A1 (0.35) ALDH1A1LMNAMAPTKLKB1KIFC1
SCHEMBL17834855 0.86 ALDH1A1 (0.41) ALDH1A1LMNAMAPTKIFC1MME
SCHEMBL17995453 0.85 ITGB3 (0.40) PSMB2PSMB10KIFC1ITGB3ITGA2B
SCHEMBL17834935 0.85 ITGB3 (0.40) PSMB2PSMB10KIFC1ITGB3ITGA2B
SCHEMBL19485605 0.85 ITGB3 (0.40) PSMB2PSMB10KIFC1ITGB3ITGA2B

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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