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Sugi Predict / Compounds / SCHEMBL12527637

SCHEMBL12527637

SCHEMBL12527637

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

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 7/20 0.49
▸ MME P08473 5/20 0.49
▸ APP P05067 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL12525644 0.91 ACE (0.52) ACEMME
SCHEMBL12527927 0.85 ACE (0.46) ACEMME
SCHEMBL12528549 0.83 ACE (0.49) ACEMMEAPP
SCHEMBL12526742 0.82 MME (0.46) ACEMME
SCHEMBL12525758 0.82 ACE (0.57) ACEMMEAPP
SCHEMBL12528443 0.81 ACE (0.57) ACEMMEAPP
SCHEMBL12528458 0.81 ACE (0.51) ACEMMEAPP
SCHEMBL12526768 0.81 ACE (0.42) ACEMME
SCHEMBL12526745 0.81 MME (0.48) ACEMME
SCHEMBL12495059 0.81 MME (0.48) 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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