SCHEMBL8091593

SCHEMBL8091593

COc1cccc(CCNC(=O)C2(C(=O)N[C@@H](CCCNC(=N)N)OBO)CCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CNR1 P21554 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL8091579 0.94 MTNR1A (0.41) MTNR1AMTNR1BALDH1A1POLBCA1
SCHEMBL8090160 0.90 MTNR1A (0.41) MTNR1AMTNR1BALDH1A1POLBCA1
SCHEMBL8090189 0.88 MMP8 (0.37)
SCHEMBL8098018 0.86 MTNR1A (0.51) MTNR1AMTNR1BALDH1A1POLBCA1
SCHEMBL8095286 0.85 NPY4R (0.38)
SCHEMBL8095221 0.85 MMP8 (0.41) CNR1
SCHEMBL8090157 0.84 MTNR1A (0.41) MTNR1AMTNR1BALDH1A1POLBCA1
SCHEMBL8098074 0.84 EPHX1 (0.35) RAB9ALMNA
SCHEMBL8095158 0.82 MMP8 (0.36)
SCHEMBL8090174 0.82 F2 (0.39)

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