SCHEMBL7280918

SCHEMBL7280918

O=C(O)[C@@H]1Cc2cccc3c2N1C(=O)C(N1C(=O)c2ccccc2C1=O)C=C3

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.42
ACE P12821 9/20 0.41
ACE2 Q9BYF1 9/20 0.41
STAT3 P40763 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 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
SCHEMBL7287988 0.89 MME (0.41) MMEACEACE2ALDH1A1
SCHEMBL7287999 0.89 MME (0.41) MMEACEACE2ALDH1A1
SCHEMBL7287502 0.84 ACE (0.44) MMEACEACE2STAT3
SCHEMBL7288010 0.75 MME (0.55) MMEACEACE2STAT3ALDH1A1
SCHEMBL7287578 0.69 ACE (0.61) MMEACEACE2STAT3
SCHEMBL12893385 0.68 ACE (0.58) MMEACEACE2STAT3
SCHEMBL5669628 0.68 ACE (0.58) MMEACEACE2STAT3
SCHEMBL197902 0.68 ACE (0.58) MMEACEACE2STAT3
SCHEMBL3726276 0.68 ACE (0.58) MMEACEACE2STAT3
SCHEMBL27015282 0.65 ACE (0.61) MMEACEACE2STAT3

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