SCHEMBL22798354

SCHEMBL22798354

CC(C)C(NC(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.48
▸ ACE P12821 9/20 0.48
▸ ACE2 Q9BYF1 4/20 0.48
▸ PREP P48147 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CMA1 P23946 1/20 0.46
▸ TSHR P16473 1/20 0.44

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
SCHEMBL18586362 1.00 TAAR1 (0.48) TAAR1ACEACE2PREPMEN1
SCHEMBL18620796 0.90 TAAR1 (0.47) TAAR1ACEPREPCMA1
SCHEMBL22811094 0.90 ACE (0.54) ACEACE2PREPTSHR
SCHEMBL18619658 0.88 PREP (0.51) TAAR1ACEACE2PREPMEN1
SCHEMBL20484650 0.88 PREP (0.51) TAAR1ACEACE2PREPMEN1
SCHEMBL18619558 0.85 ACE (0.62) ACEACE2PREPMEN1KMT2A
SCHEMBL20485168 0.85 ACE (0.62) ACEACE2PREPMEN1KMT2A
SCHEMBL20485127 0.85 MEN1 (0.51) TAAR1ACEACE2PREPMEN1
SCHEMBL18619656 0.85 MEN1 (0.51) TAAR1ACEACE2PREPMEN1
SCHEMBL20484748 0.85 ACE (0.50) TAAR1ACEACE2PREPMEN1

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
EP-3341007-B1 MALT1 INHIBITORS AND USES THEREOF UNIV CORNELL (US) 2020-12-23 — — EP disclosed
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