SCHEMBL9936982

SCHEMBL9936982

CCCCOC(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.61
ACE P12821 9/20 0.61
ACE2 Q9BYF1 9/20 0.61
CPA1 P15085 8/20 0.61
ITGB3 P05106 10/20 0.55
ITGAV P06756 3/20 0.55
ITGA2B P08514 7/20 0.55
ITGB1 P05556 1/20 0.53
ITGA4 P13612 1/20 0.53

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
SCHEMBL15201783 1.00 MME (0.61) MMEACEACE2CPA1ITGB3
SCHEMBL7758997 0.93 ITGB3 (0.58) MMEACEACE2CPA1ITGB3
SCHEMBL2185240 0.93 ITGB3 (0.58) MMEACEACE2CPA1ITGB3
SCHEMBL844471 0.93 ITGB3 (0.58) MMEACEACE2CPA1ITGB3
SCHEMBL8932501 0.91 HDAC1 (0.59) MMEACEACE2CPA1
SCHEMBL2358936 0.90 MME (0.51) MMEACEACE2CPA1ITGB3
SCHEMBL3927408 0.90 ACE (0.60) MMEACEACE2CPA1ITGB3
SCHEMBL16124609 0.90 ITGB3 (0.57) MMEACEACE2CPA1ITGB3
SCHEMBL2356597 0.89 CYP3A4 (0.51) MMEACEACE2CPA1ITGB3
SCHEMBL11123913 0.89 CTSL (0.54) MMEACEACE2CPA1ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964616-A1 NEPRILYSIN INHIBITORS Theravance Biopharma R&D IP, LLC (US) 2016-01-13 EP disclosed
EP-2882716-A1 NEPRILYSIN INHIBITORS Theravance Biopharma R&D IP, LLC (US) 2015-06-17 EP disclosed
EP-2855464-A1 NITRIC OXIDE DONOR NEPRILYSIN INHIBITORS Theravance Biopharma R&D IP, LLC (US) 2015-04-08 EP disclosed
EP-2814490-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2014-12-24 EP disclosed
WO-2014138053-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-09-12 WO disclosed
EP-2773335-A1 NEPRILYSIN INHIBITORS Theravance, Inc. (US) 2014-09-10 EP disclosed
WO-2014025891-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2014-02-13 WO disclosed
WO-2013181332-A1 NITRIC OXIDE DONOR NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2013-12-05 WO disclosed
EP-2651896-A1 NEPRILYSIN INHIBITORS Theravance, Inc. (US) 2013-10-23 EP disclosed
WO-2013123165-A1 CRYSTALLINE FORM OF (2S,4R)-5-BIPHENYL-4-YL-2-HYDROXYMETHYL-2-METHYL-4-[(1H-[1,2,3]TRIAZOLE-4-CARBONYL)-AMINO]-PENTANOIC ACID [1,3]DIOXOL-4-YLMETHYL ESTER THERAVANCE, INC. (US) 2013-08-22 WO disclosed
WO-2013123148-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-22 WO disclosed
WO-2013067163-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2013-05-10 WO disclosed
WO-2012082853-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-06-21 WO disclosed