SCHEMBL8095286

SCHEMBL8095286

N=C(N)NCCC[C@H](NC(=O)C1(C(=O)NCCc2ccc(O)cc2)CCCC1)OBO

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 15/20 0.38
NPY1R P25929 9/20 0.38
NPY5R Q15761 8/20 0.36
NPY2R P49146 5/20 0.36
KDM4E B2RXH2 1/20 0.33
F13A1 P00488 1/20 0.33
TAAR1 Q96RJ0 1/20 0.31
MME P08473 1/20 0.31

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
SCHEMBL8095279 0.94 NPY4R (0.38) NPY4RNPY1RNPY5RNPY2RKDM4E
SCHEMBL8090189 0.93 MMP8 (0.37) KDM4EMME
SCHEMBL8095221 0.89 MMP8 (0.41) MME
SCHEMBL8090134 0.89 KDM4E (0.36) KDM4EF13A1MME
SCHEMBL8098074 0.86 EPHX1 (0.35)
SCHEMBL8090174 0.86 F2 (0.39) KDM4ETAAR1MME
SCHEMBL8091593 0.85 MTNR1A (0.41)
SCHEMBL8095158 0.84 MMP8 (0.36)
SCHEMBL8091531 0.84 MMP8 (0.35)
SCHEMBL8090095 0.83 KDM4E (0.44) KDM4EF13A1TAAR1

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