SCHEMBL8718282

SCHEMBL8718282

CCOC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)c1cc(Br)c[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KCNK3 O14649 2/20 0.42
ACE P12821 4/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
P2RY12 Q9H244 1/20 0.36
FKBP1A P62942 2/20 0.35
PREP P48147 3/20 0.35
FAP Q12884 3/20 0.35
ALOX5 P09917 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL7368870 0.86 FKBP1A (0.40) ALDH1A1KCNK3ACELMNASMN1; SMN2
SCHEMBL7369394 0.83 SMYD3 (0.50) ALDH1A1KCNK3ACELMNASMN1; SMN2
SCHEMBL7360180 0.79 ALDH1A1 (0.44) ALDH1A1KCNK3ACELMNASMN1; SMN2
SCHEMBL7362731 0.78 SMYD3 (0.50) ALDH1A1KCNK3ACELMNASMN1; SMN2
SCHEMBL7360103 0.78 ACE (0.43) ALDH1A1KCNK3ACELMNASMN1; SMN2
SCHEMBL7368017 0.77 ACE (0.47) ALDH1A1KCNK3ACELMNASMN1; SMN2
SCHEMBL7362190 0.76 ALDH1A1 (0.43) ALDH1A1KCNK3ACELMNASMN1; SMN2
SCHEMBL7367819 0.76 ALDH1A1 (0.43) ALDH1A1KCNK3ACELMNASMN1; SMN2
SCHEMBL8720975 0.76 ACE (0.45) ALDH1A1KCNK3ACELMNASMN1; SMN2
SCHEMBL7361961 0.75 ACE (0.46) ALDH1A1KCNK3ACELMNASMN1; 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-0500989-B1 N-(alpha-substituted-pyridinyl) carbonyl dipeptide antihypertensive agents LACER SA (ES) 1998-12-09 EP disclosed
US-5432159-A N-(α-substituted-pyridinyl)carbonyl dipeptide antihypertensive agents LACER S.A. (ES) 1995-07-11 US disclosed
EP-0500989-A1 N-(alpha-substituted-pyridinyl) carbonyl dipeptide antihypertensive agents LACER, S.A. (ES) 1992-09-02 EP disclosed