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SCHEMBL14959654

SCHEMBL14959654

CCOCCOCCNC(=O)CCCNC(=O)C[C@H](NS(=O)(=O)c1c(C)cc(OC)c(C)c1C)C(=O)N[C@H](Cc1ccc(C(=N)NC)cc1)C(=O)N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AVPR1B P47901 7/20 0.47
▸ PLG P00747 1/20 0.44
▸ AVPR1A P37288 9/20 0.44
▸ ST14 Q9Y5Y6 2/20 0.36

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
SCHEMBL14959645 0.93 PLG (0.52) AVPR1BPLGAVPR1AST14
SCHEMBL6461917 0.84 PLG (0.54) AVPR1BPLGAVPR1A
SCHEMBL6461926 0.84 PLG (0.54) AVPR1BPLGAVPR1A
SCHEMBL6455404 0.80 AVPR1B (0.53) AVPR1BPLGAVPR1AST14
SCHEMBL6455396 0.80 AVPR1B (0.53) AVPR1BPLGAVPR1AST14
SCHEMBL7315979 0.77 PLG (0.59) AVPR1BPLGAVPR1A
SCHEMBL9196889 0.77 PLG (0.59) AVPR1BPLGAVPR1A
SCHEMBL30116337 0.77 PLG (0.59) AVPR1BPLGAVPR1A
Hydrochloric Acid SCHEMBL6461959 0.76 PLG (0.59) AVPR1BPLGAVPR1A
SCHEMBL13551195 0.76 F2 (0.57) AVPR1BPLGAVPR1AST14

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-8445450-B2 Antithrombotic dual inhibitors comprising a biotin residue MERCK SHARP & DOHME B.V. (NL) 2013-05-21 — — US disclosed
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