SCHEMBL17771373

SCHEMBL17771373

O=C(N[C@H]1CCS[C@H]2CCC[C@@H](c3nnco3)N2C1=O)[C@H](CC[C@H](Cc1ccccc1)C(=O)N[C@H]1CCS[C@H]2CCC[C@@H](c3nnco3)N2C1=O)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.58
▸ MME P08473 2/20 0.58
▸ APP P05067 1/20 0.58

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
SCHEMBL12527668 0.92 ACE (0.50) ACEMMEAPP
SCHEMBL12495263 0.83 ACE (0.43) ACEMMEAPP
SCHEMBL12528397 0.81 ACE (0.62) ACEMMEAPP
SCHEMBL12527932 0.80 ACE (0.67) ACEMMEAPP
SCHEMBL12527936 0.80 ACE (0.67) ACEMMEAPP
SCHEMBL17771375 0.79 ACE (0.61) ACEMMEAPP
SCHEMBL12528375 0.78 ACE (0.64) ACEMMEAPP
SCHEMBL12525728 0.78 ACE (0.59) ACEMMEAPP
SCHEMBL17771398 0.78 ACE (0.55) ACEMMEAPP
SCHEMBL17771414 0.78 ACE (0.63) ACEMMEAPP

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 1 patent. 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
Send feedback