SCHEMBL8526191

SCHEMBL8526191

N=C(N)NCCC[C@H](C(N)=O)N(Cc1ccc(CNC(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
NR1H4 Q96RI1 1/20 0.40
HDAC3 O15379 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
OPRM1 P35372 2/20 0.39
TMEM97 Q5BJF2 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MCHR1 Q99705 1/20 0.37

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 0.91 F7 (0.43) F7F2F10HDAC3HDAC1
SCHEMBL8528194 0.91 F7 (0.40) F7F2F10NR1H4HDAC3
SCHEMBL8525945 0.90 F7 (0.42) F7F2F10NR1H4HDAC3
SCHEMBL8526199 0.88 MC4R (0.40) F7F2F10NR1H4HDAC3
SCHEMBL8525723 0.86 TGM2 (0.39) F7F2F10OPRM1TMEM97
SCHEMBL7751927 0.85 F7 (0.39) F7F2F10HDAC3HDAC1
SCHEMBL9203013 0.84 F7 (0.45) F7F2F10NR1H4HDAC3
Trifluoroacetic Acid SCHEMBL8528536 0.82 NPY4R (0.36) F7F2MCHR1MC4RMC3R
SCHEMBL8122129 0.81 F7 (0.40) F7F2F10NR1H4OPRM1
SCHEMBL8526482 0.81 KMT2A (0.40) F2HDAC3HDAC1HDAC2MCHR1

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