SCHEMBL8096623

SCHEMBL8096623

N=C(N)NCCC[CH]NC(=O)C1(C(=O)NCc2ccc3ccccc3c2)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MC4R P32245 6/20 0.39
MC3R P41968 6/20 0.39
MC1R Q01726 5/20 0.39
MC5R P33032 5/20 0.38
TPSAB1 Q15661 2/20 0.38
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
FAAH O00519 1/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL8096021 0.91 CYP1A2 (0.37) MC4RMC3RMC1RTPSAB1HDAC1
SCHEMBL8083449 0.89 EPHX2 (0.41) TPSAB1ERCC1ERCC4F2
SCHEMBL8083486 0.88 EPHX2 (0.41) TPSAB1ERCC1ERCC4F2
SCHEMBL8083551 0.87 EPHX2 (0.41) TPSAB1F2
SCHEMBL8095058 0.85 SPHK1 (0.43) TPSAB1F2
SCHEMBL8089916 0.82 MMP8 (0.44) F2
SCHEMBL8090175 0.78 MME (0.38) F2KDM4E
SCHEMBL8083888 0.78 MMP8 (0.33) F2KDM4E
SCHEMBL8091412 0.77 ALDH1A1 (0.34) F2
SCHEMBL8083456 0.77 MMP8 (0.46) TPSAB1F2

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-0792883-B1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-12-20 EP disclosed
EP-0792883-A1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-09-03 EP disclosed