SCHEMBL7288010

SCHEMBL7288010

O=C(O)[C@@H]1Cc2cccc3c2N1C(=O)C(N1C(=O)c2ccccc2C1=O)CC3

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.55
ACE P12821 9/20 0.54
ACE2 Q9BYF1 9/20 0.54
DDB1 Q16531 2/20 0.42
CRBN Q96SW2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CHRM2 P08172 1/20 0.42
OPRM1 P35372 1/20 0.42
IKZF3 Q9UKT9 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
GZMB P10144 1/20 0.38
STAT3 P40763 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL3726276 0.79 ACE (0.58) MMEACEACE2GZMBSTAT3
SCHEMBL12893385 0.79 ACE (0.58) MMEACEACE2GZMBSTAT3
SCHEMBL27015282 0.79 ACE (0.61) MMEACEACE2DRD2DRD4
SCHEMBL197902 0.79 ACE (0.58) MMEACEACE2GZMBSTAT3
SCHEMBL5669628 0.79 ACE (0.58) MMEACEACE2GZMBSTAT3
SCHEMBL7280918 0.75 MME (0.42) MMEACEACE2ALDH1A1STAT3
SCHEMBL21274574 0.74 ACE (0.74) MMEACEACE2GZMBSTAT3
SCHEMBL7287999 0.74 MME (0.41) MMEACEACE2DDB1CRBN
SCHEMBL7287988 0.74 MME (0.41) MMEACEACE2DDB1CRBN
SCHEMBL12098408 0.72 ACE (0.72) MMEACEACE2GZMBSTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0595610-B1 Benzo-fused lactams SQUIBB & SONS INC (US) 1997-05-07 EP disclosed
US-5504080-A Benzo-fused lactams BRISTOL-MYERS SQUIBB CO. (US) 1996-04-02 US disclosed
EP-0595610-A1 Benzo-fused lactams E.R. SQUIBB & SONS, INC. (US) 1994-05-04 EP disclosed