SCHEMBL7063373

SCHEMBL7063373

CC(C)[C@@H](C(=O)O)N1C=CCC[C@H](N2C(=O)c3ccccc3C2=O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
ALDH1A1 P00352 4/20 0.36
SDCBP O00560 1/20 0.36
SDC2 P34741 1/20 0.36
CHRM2 P08172 1/20 0.36
OPRM1 P35372 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
IKZF3 Q9UKT9 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FPR1 P21462 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL7063281 0.88 LMNA (0.38) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL18366039 0.74 DDB1 (0.44) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL7064747 0.74 CA12 (0.45) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL7064754 0.74 CA12 (0.45) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL7340893 0.68 ALDH1A1 (0.44) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL1171070 0.68 TP53 (0.67) TP53ALDH1A1TSHRTDP1LMNA
SCHEMBL511872 0.68 TP53 (0.67) TP53ALDH1A1TSHRTDP1LMNA
SCHEMBL30299438 0.68 TP53 (0.67) TP53ALDH1A1TSHRTDP1LMNA
SCHEMBL542855 0.68 TP53 (0.67) TP53ALDH1A1TSHRTDP1LMNA
SCHEMBL3365015 0.65 MAOB (0.43) ALDH1A1TDP1GAA

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