SCHEMBL12528397

SCHEMBL12528397

O=C(N[C@H]1CCS[C@H]2CCC[C@@H](CO)N2C1=O)[C@H](CC[C@H](Cc1ccccc1)C(=O)N[C@H]1CCS[C@H]2CCC[C@@H](CO)N2C1=O)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 7/20 0.62
▸ APP P05067 1/20 0.62
▸ MME P08473 1/20 0.62

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
SCHEMBL12525728 0.89 ACE (0.59) ACEAPPMME
SCHEMBL17771375 0.85 ACE (0.61) ACEAPPMME
SCHEMBL12527932 0.84 ACE (0.67) ACEAPPMME
SCHEMBL12527936 0.84 ACE (0.67) ACEAPPMME
SCHEMBL12528550 0.83 ACE (0.62) ACEAPPMME
SCHEMBL12528375 0.82 ACE (0.64) ACEAPPMME
SCHEMBL12527674 0.82 ACE (0.64) ACEAPPMME
SCHEMBL17771395 0.82 ACE (0.64) ACEAPPMME
SCHEMBL12528458 0.82 ACE (0.51) ACEAPPMME
SCHEMBL17771398 0.82 ACE (0.55) ACEAPPMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346852-B2 Substituted adipic acid amides and uses thereof BRISTOL-MYERS SCUIBB COMPANY (US) 2016-05-24 — — US disclosed
WO-2012125622-A1 SUBSTITUTED ADIPIC ACID AMIDES AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-20 — — WO disclosed
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