SCHEMBL8893792

SCHEMBL8893792

CC(C)(C)OC(=O)COC1CCCN(C(=O)C2CN(c3ccc(C(=N)N)cc3)C(=O)O2)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.40
ITGA2B P08514 15/20 0.40
PRSS1 P07477 10/20 0.40
PRSS2 P07478 9/20 0.40
PRSS3 P35030 9/20 0.40
F10 P00742 6/20 0.39
F2 P00734 3/20 0.38
TPSAB1 Q15661 2/20 0.35
TPSD1 Q9BZJ3 2/20 0.35
TPSG1 Q9NRR2 2/20 0.35
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
CHEK2 O96017 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8892934 0.91 ITGB3 (0.43) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7462813 0.88 ITGB3 (0.44) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8894310 0.82 GPR119 (0.36) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8894399 0.82 ITGB3 (0.43) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8891636 0.81 ITGB3 (0.42) ITGB3ITGA2BF10PRMT5WDR77
SCHEMBL7461182 0.79 ITGB3 (0.41) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7456463 0.79 ITGB3 (0.49) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8892999 0.78 ITGB3 (0.41) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7455534 0.78 ITGB3 (0.52) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8892720 0.76 GPR119 (0.42)

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
US-5614535-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 US disclosed