SCHEMBL12526768

SCHEMBL12526768

O=C(N[C@H]1CCCCN(c2ccccc2)C1=O)[C@H](CC[C@H](Cc1ccc(F)cc1)C(=O)N[C@H]1CCC[C@H]2CCCCN2C1=O)Cc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 5/20 0.42
▸ MME P08473 4/20 0.42
▸ FPR2 P25090 3/20 0.40
▸ FPR1 P21462 2/20 0.40
▸ XIAP P98170 2/20 0.40
▸ BIRC2 Q13490 1/20 0.40

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 0.90 ACE (0.46) ACEMMEFPR2FPR1
SCHEMBL12525644 0.83 ACE (0.52) ACEMME
SCHEMBL12528549 0.81 ACE (0.49) ACEMME
SCHEMBL12527637 0.81 ACE (0.49) ACEMME
SCHEMBL12527695 0.76 ACE (0.43) ACEMMEFPR2FPR1
SCHEMBL17771376 0.76 ACE (0.43) ACEMMEFPR2FPR1
SCHEMBL12528426 0.74 ACE (0.54) ACEMME
SCHEMBL17771411 0.74 ACE (0.52) ACEMME
SCHEMBL12527911 0.74 XIAP (0.40) ACEMMEXIAP
SCHEMBL17771398 0.72 ACE (0.55) 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 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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