SCHEMBL12525644

SCHEMBL12525644

O=C(O)[C@H](CC[C@H](Cc1ccccc1)C(=O)NC1CCCCN(c2ccccc2)C1=O)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 7/20 0.52
▸ MME P08473 6/20 0.52

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
SCHEMBL12527927 0.93 ACE (0.46) ACEMME
SCHEMBL12527637 0.91 ACE (0.49) ACEMME
SCHEMBL12526745 0.87 MME (0.48) ACEMME
SCHEMBL12495059 0.87 MME (0.48) ACEMME
SCHEMBL12528549 0.85 ACE (0.49) ACEMME
SCHEMBL12526742 0.85 MME (0.46) ACEMME
SCHEMBL12526768 0.83 ACE (0.42) ACEMME
SCHEMBL12528426 0.82 ACE (0.54) ACEMME
SCHEMBL12527695 0.80 ACE (0.43) ACEMME
SCHEMBL17771376 0.80 ACE (0.43) ACEMME

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
US-9346852-B2 Substituted adipic acid amides and uses thereof BRISTOL-MYERS SCUIBB COMPANY (US) 2016-05-24 — — US disclosed
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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