SCHEMBL7062477

SCHEMBL7062477

NC1CCC=CN(CC(=O)O)C1=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.34
APEX1 P27695 1/20 0.34
ACE P12821 4/20 0.34
DPP4 P27487 1/20 0.32
ANPEP P15144 2/20 0.30
LNPEP Q9UIQ6 2/20 0.30

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
SCHEMBL7058422 1.00 SMN1; SMN2 (0.35) SMN1; SMN2L3MBTL1CYP3A4TSHRTDP1
SCHEMBL7064754 0.73 CA12 (0.45) L3MBTL1TSHRTDP1MAPT
SCHEMBL7064747 0.73 CA12 (0.45) L3MBTL1TSHRTDP1MAPT
SCHEMBL7062412 0.69 DPP4 (0.36) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL5066904 0.68 SMN1; SMN2 (0.38) SMN1; SMN2L3MBTL1APEX1ACEDPP4
SCHEMBL7501140 0.68 SMN1; SMN2 (0.38) SMN1; SMN2L3MBTL1APEX1ACEDPP4
SCHEMBL385403 0.67 ACE (0.59) SMN1; SMN2L3MBTL1CYP3A4TSHRTDP1
SCHEMBL6141057 0.67 ACE (0.59) SMN1; SMN2L3MBTL1CYP3A4TSHRTDP1
SCHEMBL385463 0.67 ACE (0.59) SMN1; SMN2L3MBTL1CYP3A4TSHRTDP1
SCHEMBL7350501 0.65 ACE (0.46) CYP3A4TSHRTDP1MAPTAPEX1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728746-B1 Azepinone compounds useful in the inhibition of ACE and NEP BRISTOL MYERS SQUIBB CO (US) 2003-05-28 EP disclosed
US-6143886-A CYCLOPROPYL-SUBSTITUTED AZEPINONE COMPOUNDS WHICH ARE USEFUL EITHER AS SELECTIVE ANGIOTENSIN CONVERTING ENZYME INHIBITORS, OR AS DUAL INHIBITORS OF BOTH ANGIOTENSIN CONVERTING ENZYME AND NEUTRAL ENDOPEPTIDASE BRISTOL-MYERS SQUIBB CO. (US) 2000-11-07 US disclosed
US-5994537-A Process for preparing azepinone compounds useful in the inhibition of ACE and NEP BRISTOL-MYERS SQUIBB CO. (US) 1999-11-30 US disclosed
US-5587375-A TREATING BLOOD PRESSURE, INTRAOCULAR PRESSURE, CARDIOVASCULAR DISORDERS, GLAUCOMA, AND RENAL DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-24 US disclosed
EP-0728746-A1 Azepinone compounds useful in the inhibition of ACE and NEP BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-28 EP disclosed