SCHEMBL8525945

SCHEMBL8525945

N=C(N)NCCC[C@H](C(N)=O)N(Cc1ccc(CC(N)=O)cc1)C(=O)c1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 4/20 0.42
F2 P00734 3/20 0.42
F10 P00742 3/20 0.42
OPRM1 P35372 2/20 0.40
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
PLAU P00749 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HDAC3 O15379 4/20 0.35
HDAC4 P56524 4/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC7 Q8WUI4 4/20 0.35
HDAC2 Q92769 4/20 0.35
HDAC10 Q969S8 4/20 0.35
HDAC11 Q96DB2 4/20 0.35
HDAC8 Q9BY41 4/20 0.35
HDAC6 Q9UBN7 4/20 0.35
HDAC9 Q9UKV0 4/20 0.35
HDAC5 Q9UQL6 4/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL7750702 0.92 F7 (0.43) F7F2F10OPRM1TMEM97
SCHEMBL8526191 0.90 F7 (0.42) F7F2F10OPRM1TMEM97
SCHEMBL7751927 0.85 F7 (0.39) F7F2F10OPRM1TMEM97
SCHEMBL9203013 0.85 F7 (0.45) F7F2F10OPRM1TMEM97
SCHEMBL8122129 0.82 F7 (0.40) F7F2F10OPRM1TMEM97
SCHEMBL8528194 0.81 F7 (0.40) F7F2F10OPRM1TMEM97
SCHEMBL7039838 0.79 TDP1 (0.36) MEN1KMT2A
SCHEMBL8121355 0.79 TGM2 (0.42) OPRM1TMEM97SIGMAR1PLAUKDM4E
SCHEMBL8526199 0.78 MC4R (0.40) F7F2F10HDAC3HDAC1
SCHEMBL8111790 0.77 ESR1 (0.39) F7F2F10OPRM1TMEM97

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
EP-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 WO disclosed