SCHEMBL4428775

SCHEMBL4428775

CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C=O)CCCCN

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.53
CTSK P43235 6/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
ANPEP P15144 1/20 0.45
LMNA P02545 2/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
ABCB11 O95342 1/20 0.43
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
CTSH P09668 2/20 0.43
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL6064947 0.87 ACE (0.49) ACECTSKSMN1; SMN2ANPEPLMNA
SCHEMBL6064398 0.87 ACE (0.70) ACECTSKCHRNB2CHRNB4CHRNA3
SCHEMBL27458051 0.85 ACE (0.58) ACESMN1; SMN2ANPEPLMNAABCB11
SCHEMBL6240311 0.85 ACE (0.58) ACESMN1; SMN2ANPEPLMNAABCB11
SCHEMBL6237696 0.85 ACE (0.58) ACESMN1; SMN2ANPEPLMNAABCB11
SCHEMBL4428771 0.82 ACE (0.51) ACESMN1; SMN2ANPEPLMNACHRNB2
SCHEMBL497024 0.79 SMN1; SMN2 (0.56) ACESMN1; SMN2LMNAABCB11MEN1
SCHEMBL10834443 0.79 SMN1; SMN2 (0.56) ACESMN1; SMN2LMNAABCB11MEN1
SCHEMBL8301017 0.79 TLR2 (0.51) ACESMN1; SMN2LMNACHRNB2CHRNB4
SCHEMBL14374305 0.76 ACE (0.60) ACESMN1; SMN2LMNAABCB11MEN1

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-1635816-B1 ENALAPRIL-NITROXYDERIVATIVES DERIVATIVES AND RELATED COMPOUNDS AS ACE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES NICOX SA (FR) 2009-03-04 EP disclosed
EP-1635816-A1 ENALAPRIL-NITROXYDERIVATIVES DERIVATIVES AND RELATED COMPOUNDS AS ACE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Nicox S.A. (FR) 2006-03-22 EP disclosed
WO-2004110432-A1 ENALAPRIL-NITROXYDERIVATIVES DERIVATIVES AND RELATED COMPOUNDS AS ACE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES NICOX S.A. (FR) 2004-12-23 WO disclosed