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SCHEMBL12528458

SCHEMBL12528458

COC[C@@H]1CCC[C@@H]2SCC[C@H](NC(=O)[C@H](CC[C@H](Cc3ccccc3)C(=O)N[C@H]3CCCCN(c4ccccc4)C3=O)Cc3ccccc3)C(=O)N12

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.51
▸ MME P08473 2/20 0.51
▸ APP P05067 1/20 0.51
▸ FPR1 P21462 2/20 0.41
▸ FPR2 P25090 2/20 0.41

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 0.92 ACE (0.59) ACEMMEAPP
SCHEMBL12525758 0.89 ACE (0.57) ACEMMEAPP
SCHEMBL12528443 0.88 ACE (0.57) ACEMMEAPP
SCHEMBL12528426 0.87 ACE (0.54) ACEMMEAPP
SCHEMBL12527665 0.87 ACE (0.58) ACEMMEAPP
SCHEMBL17771411 0.85 ACE (0.52) ACEMMEAPP
SCHEMBL12528549 0.84 ACE (0.49) ACEMMEAPP
SCHEMBL12525802 0.84 ACE (0.54) ACEMMEAPP
SCHEMBL12528438 0.84 ACE (0.48) ACEMMEAPP
SCHEMBL12527703 0.83 ACE (0.50) 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 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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