SCHEMBL8527775

SCHEMBL8527775

CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.65

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
SCHEMBL8657319 1.00 ECE1 (0.65) ECE1
SCHEMBL8527781 1.00 ECE1 (0.65) ECE1
SCHEMBL4192578 0.99 ECE1 (0.64) ECE1
SCHEMBL31331902 0.99 ECE1 (0.64) ECE1
SCHEMBL8529918 0.91 IL1RN (0.61)
SCHEMBL8529922 0.91 IL1RN (0.61)
SCHEMBL7338465 0.90 ALOX15 (0.61) ECE1
SCHEMBL7338480 0.90 ALOX15 (0.61) ECE1
SCHEMBL1076042 0.89
SCHEMBL1076040 0.89

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0460679-B1 Endothelin antagonistic peptide derivatives BANYU PHARMA CO LTD (JP) 1998-10-28 EP disclosed
EP-0852584-A1 PEPTIDE DERIVATIVES HAVING ENDOTHELIN RECEPTOR ANTAGONISTIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 1998-07-15 EP disclosed
US-5691315-A CARDIOVASCULAR DISORDERS; VASODILATOR; BRONCHODILATOR BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 US disclosed
WO-1997011961-A1 PEPTIDE DERIVATIVES HAVING ENDOTHELIN RECEPTOR ANTAGONISTIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-03 WO disclosed
US-5470833-A Vasodilators, bronchodilators BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-11-28 US disclosed
US-5444152-A Vasolidator or bronchodilator BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-22 US disclosed
EP-0460679-A2 Endothelin antagonistic peptide derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-12-11 EP disclosed