SCHEMBL7355192

SCHEMBL7355192

O=C1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)OCc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.57
FKBP1A P62942 8/20 0.55
GAA P10253 1/20 0.48
ACE2 Q9BYF1 4/20 0.48

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
SCHEMBL7355087 0.88 ACE (0.60) ACEACE2
SCHEMBL7355184 0.87 ACE (0.57) ACEFKBP1AGAAACE2
SCHEMBL6439093 0.84 ACE (0.62) ACEFKBP1AACE2
SCHEMBL7348938 0.84 CAPN1 (0.57)
SCHEMBL7348952 0.84 CAPN1 (0.57)
SCHEMBL7347204 0.82 OPRM1 (0.49) ACEGAAACE2
SCHEMBL8365677 0.82 ACE (0.57) ACEFKBP1A
SCHEMBL8364232 0.82 ACE (0.57) ACEFKBP1A
SCHEMBL7356132 0.82 F2 (0.51) ACEGAAACE2
SCHEMBL7356122 0.82 F2 (0.51) ACEGAAACE2

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-0644892-A1 INHIBITORS OF ANGIOTENSIN I CHYMASE(S) INCLUDING HUMAN HEART CHYMASE PFIZER INC. (US) 1995-03-29 EP disclosed
WO-1993025574-A1 INHIBITORS OF ANGIOTENSIN I CHYMASE(S) INCLUDING HUMAN HEART CHYMASE PFIZER INC. (US) 1993-12-23 WO disclosed