SCHEMBL11242902

SCHEMBL11242902

NCCCCN(N)C(=O)N1CCC[C@]1(C(=O)O)C(CCc1ccccc1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.37
CPB2 Q96IY4 3/20 0.34
SIGMAR1 Q99720 2/20 0.33
F2 P00734 3/20 0.33
F10 P00742 1/20 0.33

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
SCHEMBL11243251 1.00 ACE (0.37) ACECPB2SIGMAR1F2F10
SCHEMBL11264758 0.87 GSR (0.31)
SCHEMBL649164 0.82 DPP8 (0.43) ACECPB2
SCHEMBL5552493 0.82 DPP8 (0.43) ACECPB2
Water SCHEMBL3369508 0.82 DPP7 (0.42) ACECPB2
SCHEMBL10883512 0.81 DPP7 (0.39) ACESIGMAR1
SCHEMBL9394613 0.79 ACE (0.40) ACE
Methanesulfonamide SCHEMBL11097510 0.78 DPP8 (0.39) ACECPB2
SCHEMBL7266941 0.72 ACE (0.42) ACE
SCHEMBL5551908 0.71 DPP8 (0.40) ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0058918-A1 Aza analogs of aminoacid derivatives as antihypertensives MERCK & CO. INC. (US) 1982-09-01 EP claimed
EP-0058918-A1 Aza analogs of aminoacid derivatives as antihypertensives MERCK & CO. INC. (US) 1982-09-01 EP disclosed