SCHEMBL7315979

SCHEMBL7315979

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

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 5/20 0.59
▸ AVPR1B P47901 7/20 0.59
▸ AVPR1A P37288 5/20 0.48
▸ PLAU P00749 4/20 0.46
▸ F10 P00742 1/20 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
SCHEMBL9196889 1.00 PLG (0.59) PLGAVPR1BAVPR1APLAUF10
SCHEMBL30116337 1.00 PLG (0.59) PLGAVPR1BAVPR1APLAUF10
Hydrochloric Acid SCHEMBL6461959 0.99 PLG (0.59) PLGAVPR1BAVPR1APLAUF10
SCHEMBL6461926 0.91 PLG (0.54) PLGAVPR1BAVPR1APLAUF10
SCHEMBL6461917 0.91 PLG (0.54) PLGAVPR1BAVPR1APLAUF10
SCHEMBL8267900 0.91 PLG (0.60) PLGAVPR1BAVPR1APLAUF10
SCHEMBL16354318 0.88 AVPR1B (0.58) PLGAVPR1BAVPR1A
Hydrochloric Acid SCHEMBL6461965 0.87 AVPR1B (0.57) PLGAVPR1BAVPR1A
SCHEMBL6455396 0.85 AVPR1B (0.53) PLGAVPR1BAVPR1APLAUF10
SCHEMBL6455404 0.85 AVPR1B (0.53) PLGAVPR1BAVPR1APLAUF10

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
EP-1237897-B1 ANTITHROMBOTIC COMPOUND MERCK SHARP & DOHME (NL) 2015-01-14 — — EP disclosed
US-5556941-A ANTICOAGULANTS, THROMBIN INHIBITORS BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1996-09-17 — — US disclosed
EP-0558961-A2 Glycopeptide derivatives, process for their manufacture and pharmaceutical compositions comprising them BEHRINGWERKE Aktiengesellschaft (DE) 1993-09-08 — — EP disclosed
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