SCHEMBL7360103

SCHEMBL7360103

CCOC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)c1c(C)cc[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.43
LMNA P02545 1/20 0.43
KCNK3 O14649 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PREP P48147 4/20 0.38
FAP Q12884 2/20 0.38
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
P2RY12 Q9H244 1/20 0.37
FKBP1A P62942 2/20 0.36

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
SCHEMBL7369394 0.85 SMYD3 (0.50) ACELMNAKCNK3SMN1; SMN2ALDH1A1
SCHEMBL7362731 0.83 SMYD3 (0.50) ACELMNAKCNK3SMN1; SMN2ALDH1A1
SCHEMBL7362190 0.81 ALDH1A1 (0.43) ACELMNAKCNK3SMN1; SMN2ALDH1A1
SCHEMBL7360180 0.80 ALDH1A1 (0.44) ACELMNAKCNK3SMN1; SMN2ALDH1A1
SCHEMBL7367819 0.79 ALDH1A1 (0.43) ACELMNAKCNK3SMN1; SMN2ALDH1A1
SCHEMBL7368017 0.79 ACE (0.47) ACELMNAKCNK3SMN1; SMN2ALDH1A1
SCHEMBL7361961 0.78 ACE (0.46) ACELMNAKCNK3SMN1; SMN2ALDH1A1
SCHEMBL8718282 0.78 ALDH1A1 (0.42) ACELMNAKCNK3SMN1; SMN2ALDH1A1
SCHEMBL7361906 0.76 CYP1A2 (0.46) ACELMNAKCNK3SMN1; SMN2ALDH1A1
SCHEMBL8720975 0.76 ACE (0.45) ACELMNAKCNK3SMN1; SMN2ALDH1A1

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
US-5432159-A N-(α-substituted-pyridinyl)carbonyl dipeptide antihypertensive agents LACER S.A. (ES) 1995-07-11 US disclosed
WO-1992015608-A1 N-(α-SUBSTITUTED-PYRIDINYL)CARBONYL DIPEPTIDE ANTIHYPERTENSIVE AGENTS LACER S.A. (ES) 1992-09-17 WO disclosed