SCHEMBL5611736

SCHEMBL5611736

NCCCC[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C=Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 10/20 0.55
▸ OPRM1 P35372 4/20 0.55
▸ STAT6 P42226 1/20 0.50

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
SCHEMBL5058350 1.00 OPRD1 (0.55) OPRD1OPRM1STAT6
Trifluoroacetic Acid SCHEMBL29706375 0.97 OPRD1 (0.52) OPRD1OPRM1STAT6
Trifluoroacetic Acid SCHEMBL28184395 0.97 OPRD1 (0.52) OPRD1OPRM1STAT6
SCHEMBL29509580 0.91 OPRD1 (0.59) OPRD1OPRM1
SCHEMBL29376540 0.89 OPRD1 (0.61) OPRD1OPRM1
Trifluoroacetic Acid SCHEMBL29509617 0.86 OPRD1 (0.58) OPRD1OPRM1
SCHEMBL29462069 0.84 OPRD1 (0.65) OPRD1OPRM1
SCHEMBL28184393 0.83 OPRD1 (0.49) OPRD1OPRM1STAT6
SCHEMBL30832772 0.79 OPRD1 (0.61) OPRD1OPRM1
SCHEMBL5489858 0.78 ACE (0.51) OPRD1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799243-A2 TREATMENT OF PULMONARY HYPERTENSION USING AN AGENT THAT INHIBITS A TISSUE FACTOR PATHWAY UNIVERSITY OF ROCHESTER (US) 2007-06-27 — — EP claimed
WO-2006042017-A2 TREATMENT OF PULMONARY HYPERTENSION USING AN AGENT THAT INHIBITS A TISSUE FACTOR PATHWAY UNIVERSITY OF ROCHESTER (US) 2006-04-20 — — WO claimed
EP-1799243-A2 TREATMENT OF PULMONARY HYPERTENSION USING AN AGENT THAT INHIBITS A TISSUE FACTOR PATHWAY UNIVERSITY OF ROCHESTER (US) 2007-06-27 — — EP disclosed
WO-2006042017-A2 TREATMENT OF PULMONARY HYPERTENSION USING AN AGENT THAT INHIBITS A TISSUE FACTOR PATHWAY UNIVERSITY OF ROCHESTER (US) 2006-04-20 — — WO disclosed
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