SCHEMBL8972089

SCHEMBL8972089

CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CC(=O)C[C@H]1C(=O)OCC

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 13/20 0.73
ABCB11 O95342 2/20 0.70
LMNA P02545 2/20 0.65
PDE3A Q14432 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.60
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
USP2 O75604 1/20 0.56
CYP3A4 P08684 1/20 0.56
ALOX15 P16050 1/20 0.56

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
SCHEMBL4057734 0.85 ACE (0.83) ACEABCB11LMNAPDE3ASMN1; SMN2
SCHEMBL5981613 0.85 ACE (0.83) ACEABCB11LMNAPDE3ASMN1; SMN2
SCHEMBL682457 0.85 ACE (0.83) ACEABCB11LMNAPDE3ASMN1; SMN2
SCHEMBL16364866 0.85 ACE (0.86) ACEABCB11LMNAPDE3ASMN1; SMN2
SCHEMBL4448940 0.84 ACE (0.80) ACEABCB11LMNAPDE3A
SCHEMBL7324222 0.83 ACE (0.87) ACEABCB11LMNAPDE3ASMN1; SMN2
SCHEMBL6417922 0.83 ACE (0.87) ACEABCB11LMNAPDE3ASMN1; SMN2
SCHEMBL8971446 0.83 ACE (0.66) ACEABCB11LMNAPDE3ASMN1; SMN2
Quinapril SCHEMBL11286555 0.83 ACE (1.00) ACEABCB11LMNAPDE3ASMN1; SMN2
Quinapril SCHEMBL9094436 0.83 ACE (1.00) ACEABCB11LMNAPDE3ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0175266-B1 Antihypertensive derivatives RHONE POULENC RORER PHARMA (US) 1996-03-20 EP disclosed
US-4749698-A Antihypertensive derivatives RORER PHARMACEUTICAL CORPORATION (US) 1988-06-07 US disclosed
EP-0175266-A2 Antihypertensive derivatives RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1986-03-26 EP disclosed