SCHEMBL17771398

SCHEMBL17771398

O=C(N[C@H]1CCS[C@H]2CCCCN2C1=O)[C@H](CC[C@H](Cc1ccccc1)C(=O)N[C@H]1CCS[C@H]2CCCCN2C1=O)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 6/20 0.55
▸ MME P08473 5/20 0.55
▸ APP P05067 1/20 0.55

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
SCHEMBL12528549 0.93 ACE (0.49) ACEMMEAPP
SCHEMBL30924361 0.89 ACE (0.69) ACEMMEAPP
SCHEMBL30924359 0.89 ACE (0.69) ACEMMEAPP
SCHEMBL17771396 0.88 ACE (0.60) ACEMMEAPP
SCHEMBL12526771 0.88 ACE (0.60) ACEMMEAPP
SCHEMBL12526743 0.86 ACE (0.57) ACEMMEAPP
SCHEMBL12528551 0.83 ACE (0.57) ACEMMEAPP
SCHEMBL12525793 0.83 ACE (0.57) ACEMMEAPP
SCHEMBL17771412 0.83 ACE (0.48) ACEMMEAPP
SCHEMBL12528474 0.83 ACE (0.48) 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
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