SCHEMBL17771376

SCHEMBL17771376

O=C(N[C@H]1CCCCN(c2ccccc2)C1=O)[C@H](CC[C@H](Cc1ccccc1)C(=O)N[C@H]1CCS[C@H]2CC[C@@H](C(F)(F)F)CN2C1=O)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 6/20 0.43
▸ MME P08473 5/20 0.43
▸ APP P05067 1/20 0.43
▸ FPR1 P21462 1/20 0.38
▸ FPR2 P25090 1/20 0.38

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
SCHEMBL12527695 1.00 ACE (0.43) ACEMMEAPPFPR1FPR2
SCHEMBL17771392 0.91 ACE (0.40) ACEMMEAPP
SCHEMBL12526761 0.91 ACE (0.40) ACEMMEAPP
SCHEMBL17771418 0.91 ACE (0.40) ACEMMEAPP
SCHEMBL17771412 0.91 ACE (0.48) ACEMMEAPP
SCHEMBL12528474 0.91 ACE (0.48) ACEMMEAPP
SCHEMBL12528549 0.89 ACE (0.49) ACEMMEAPP
SCHEMBL17771415 0.89 ACE (0.39) ACEMMEAPPFPR2
SCHEMBL12527948 0.89 ACE (0.39) ACEMMEAPPFPR2
SCHEMBL17771420 0.89 ACE (0.39) ACEMMEAPPFPR2

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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