SCHEMBL8526199

SCHEMBL8526199

N=C(N)NCCC[C@H](C(N)=O)N(Cc1ccc(CNC(N)=O)cc1)C(=O)NCc1ccc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MC4R P32245 8/20 0.40
MC3R P41968 6/20 0.40
MC1R Q01726 6/20 0.40
TPSAB1 Q15661 1/20 0.39
MC5R P33032 6/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
LSS P48449 1/20 0.36
F7 P08709 2/20 0.35
F10 P00742 2/20 0.35
F2 P00734 1/20 0.35
FAAH O00519 1/20 0.34
FURIN P09958 1/20 0.34
NR1H4 Q96RI1 1/20 0.34

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
SCHEMBL8525723 0.88 TGM2 (0.39) MC4RMC3RMC1RTPSAB1MC5R
SCHEMBL8526191 0.88 F7 (0.42) MC4RMC3RMC1RTPSAB1ACHE
Trifluoroacetic Acid SCHEMBL8528536 0.85 NPY4R (0.36) MC4RMC3RMC1RMC5RF7
SCHEMBL8612160 0.81 TGM2 (0.37) MC4RMC3RMC1RTPSAB1MC5R
SCHEMBL7059809 0.80 NPY1R (0.42) TPSAB1
SCHEMBL6899868 0.80 NPY1R (0.42) TPSAB1
SCHEMBL8528194 0.79 F7 (0.40) MC4RMC3RMC1RTPSAB1MC5R
SCHEMBL7750702 0.79 F7 (0.43) ACHEHDAC3HDAC1HDAC2HDAC8
SCHEMBL8525945 0.78 F7 (0.42) MC4RMC3RMC1RACHEHDAC3
SCHEMBL7045274 0.77 KDM4E (0.42) MC4RMC3RMC1RMC5R

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