SCHEMBL8953963

SCHEMBL8953963

COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(C(N)=NC(=O)[C@@H](N)CC(=O)O)cc2)C(=O)N2CCCCC2)c(C)c1C

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AVPR1B P47901 7/20 0.60
▸ PLG P00747 1/20 0.53
▸ AVPR1A P37288 6/20 0.46

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
Hydrochloric Acid SCHEMBL7303086 0.87 AVPR1B (0.52) AVPR1BPLGAVPR1A
SCHEMBL30116337 0.82 PLG (0.59) AVPR1BPLGAVPR1A
SCHEMBL9196889 0.82 PLG (0.59) AVPR1BPLGAVPR1A
SCHEMBL7315979 0.82 PLG (0.59) AVPR1BPLGAVPR1A
Hydrochloric Acid SCHEMBL6461959 0.81 PLG (0.59) AVPR1BPLGAVPR1A
SCHEMBL7757230 0.81 AVPR1B (0.38) AVPR1BPLGAVPR1A
SCHEMBL16354318 0.79 AVPR1B (0.58) AVPR1BPLGAVPR1A
Hydrochloric Acid SCHEMBL6461965 0.78 AVPR1B (0.57) AVPR1BPLGAVPR1A
SCHEMBL8267900 0.77 PLG (0.60) AVPR1BPLGAVPR1A
SCHEMBL6461917 0.76 PLG (0.54) AVPR1BPLGAVPR1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7203994-A — — None — — JP disclosed
US-5563041-A FORMATION OF AN INTERFERING FIBRIN CLOT IS PREVENTED BY PRESENCE OF AN INHIBITOR OF FIBRIN AGGREGATION BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1996-10-08 — — US disclosed
JP-H07203994-A DETERMINATION OF PLATELET AGGREGATION BEHRINGWERKE AG 1995-08-08 — — JP disclosed
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