SCHEMBL7361906

SCHEMBL7361906

CCOC(=O)c1cccc(C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)OCC)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
ACE P12821 4/20 0.46
LMNA P02545 1/20 0.46
P2RY12 Q9H244 4/20 0.43
KCNK3 O14649 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PREP P48147 5/20 0.41
FAP Q12884 3/20 0.41
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40

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
SCHEMBL7361706 0.90 ACE (0.45) ACELMNAP2RY12KCNK3SMN1; SMN2
SCHEMBL7361961 0.79 ACE (0.46) ACELMNAKCNK3SMN1; SMN2PREP
SCHEMBL7361318 0.79 ACE (0.50) ACELMNAPREPFAPDPP8
SCHEMBL7362111 0.79 ALDH1A1 (0.46) ACELMNAP2RY12KCNK3SMN1; SMN2
SCHEMBL7368109 0.78 PREP (0.43) ACELMNAP2RY12KCNK3SMN1; SMN2
SCHEMBL7363975 0.77 CYP2C19 (0.52) ACELMNAP2RY12KCNK3SMN1; SMN2
SCHEMBL8208686 0.77 CYP1A2 (0.73) CYP1A2LMNASMN1; SMN2MAPTALDH1A1
SCHEMBL8720975 0.76 ACE (0.45) ACELMNAKCNK3SMN1; SMN2PREP
SCHEMBL7360103 0.76 ACE (0.43) ACELMNAP2RY12KCNK3SMN1; SMN2
SCHEMBL7369394 0.76 SMYD3 (0.50) ACELMNAKCNK3SMN1; SMN2PREP

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 4 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
WO-1992015608-A1 N-(α-SUBSTITUTED-PYRIDINYL)CARBONYL DIPEPTIDE ANTIHYPERTENSIVE AGENTS LACER S.A. (ES) 1992-09-17 WO disclosed
EP-0500989-A1 N-(alpha-substituted-pyridinyl) carbonyl dipeptide antihypertensive agents LACER, S.A. (ES) 1992-09-02 EP disclosed