SCHEMBL7363975

SCHEMBL7363975

CCOC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)c1cccnc1Cl

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.52
PREP P48147 9/20 0.45
FAP Q12884 7/20 0.45
ACE P12821 3/20 0.44
LMNA P02545 1/20 0.44
KCNK3 O14649 1/20 0.44
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
P2RY12 Q9H244 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
ALDH1A1 P00352 1/20 0.40
FKBP1A P62942 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
SCHEMBL7368109 0.87 PREP (0.43) CYP2C19PREPFAPACELMNA
SCHEMBL7367902 0.86 PREP (0.49) PREPFAPACELMNADPP8
SCHEMBL8476331 0.86 MAPK8 (0.52) PREPFAPACELMNAKCNK3
SCHEMBL7369918 0.86 MAPK8 (0.52) PREPFAPACELMNAKCNK3
SCHEMBL7361372 0.85 ACE (0.45) PREPFAPACELMNAKCNK3
SCHEMBL7364635 0.84 ALDH1A1 (0.47) PREPFAPACELMNAKCNK3
SCHEMBL7366766 0.81 PREP (0.66) PREPFAPACELMNAKCNK3
SCHEMBL7361568 0.80 PREP (0.48) CYP2C19PREPFAPACELMNA
SCHEMBL7361706 0.80 ACE (0.45) PREPFAPACELMNAKCNK3
SCHEMBL7369394 0.80 SMYD3 (0.50) PREPFAPACELMNAKCNK3

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