SCHEMBL7316786

SCHEMBL7316786

CCCCC(C(N)=O)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.54
CA1 P00915 4/20 0.54
EPHX1 P07099 1/20 0.42
SLC15A1 P46059 1/20 0.41
MAPK1 P28482 1/20 0.40
DPP7 Q9UHL4 3/20 0.40
DPP8 Q6V1X1 2/20 0.40
DPP4 P27487 1/20 0.40
DPP9 Q86TI2 1/20 0.40
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
TP53 P04637 1/20 0.38
FDPS P14324 1/20 0.37

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
SCHEMBL7325930 1.00 CA2 (0.54) CA2CA1EPHX1SLC15A1MAPK1
SCHEMBL9831486 1.00 CA2 (0.54) CA2CA1EPHX1SLC15A1MAPK1
SCHEMBL4023785 0.93 CA1 (0.47) CA2CA1EPHX1MAPK1SLC1A2
SCHEMBL31560160 0.91 EPHX1 (0.48) CA2CA1EPHX1MAPK1TP53
SCHEMBL16393900 0.91 EPHX1 (0.48) CA2CA1EPHX1MAPK1TP53
SCHEMBL21670103 0.91 EPHX1 (0.48) CA2CA1EPHX1MAPK1TP53
SCHEMBL6205731 0.86 CA1 (0.41) CA2CA1EPHX1SLC1A3SLC1A2
SCHEMBL1577891 0.86 CA1 (0.41) CA2CA1EPHX1SLC1A3SLC1A2
SCHEMBL6204488 0.86 CA1 (0.41) CA2CA1EPHX1SLC1A3SLC1A2
SCHEMBL2585299 0.84 CA2 (0.52) CA2CA1EPHX1SLC15A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543936-A4 RENIN INHIBITORS 1993-06-30 EP claimed
EP-0543936-A1 RENIN INHIBITORS ABBOTT LABORATORIES (US) 1993-06-02 EP claimed
WO-1992003429-A1 RENIN INHIBITORS ABBOTT LABORATORIES (US) 1992-03-05 WO claimed
EP-0437508-A4 NON-PEPTIDE RENIN INHIBITORS 1991-11-06 EP claimed
EP-0437508-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-07-24 EP claimed
WO-1990003971-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-04-19 WO claimed
EP-3452172-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION IN MAMMALS Yale University (US) 2019-03-13 EP disclosed
WO-2017192799-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION IN MAMMALS YALE UNIVERSITY (US) 2017-11-09 WO disclosed
EP-0543936-A4 RENIN INHIBITORS 1993-06-30 EP disclosed
EP-0543936-A1 RENIN INHIBITORS ABBOTT LABORATORIES (US) 1993-06-02 EP disclosed
WO-1992003429-A1 RENIN INHIBITORS ABBOTT LABORATORIES (US) 1992-03-05 WO disclosed
EP-0437508-A4 NON-PEPTIDE RENIN INHIBITORS 1991-11-06 EP disclosed
WO-1991016031-A1 PSORIASIS TREATMENT ABBOTT LABORATORIES (US) 1991-10-31 WO disclosed
EP-0439556-A4 HETEROCYCLIC PEPTIDE RENIN INHIBITORS 1991-10-30 EP disclosed
EP-0439556-A1 HETEROCYCLIC PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-08-07 EP disclosed
EP-0437508-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-07-24 EP disclosed
WO-1990004917-A1 HETEROCYCLIC PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-05-17 WO disclosed
WO-1990003971-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-04-19 WO disclosed