SCHEMBL8090157

SCHEMBL8090157

COc1cccc(CCNC(=O)C2(C(=O)NC(CCCN)OBOC(CCCN)NC(=O)C3(C(=O)NCCc4cccc(OC)c4)CCCC3)CCCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CNR1 P21554 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
RAB9A P51151 1/20 0.39
PARP1 P09874 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL8090160 0.94 MTNR1A (0.41) MTNR1AMTNR1BALDH1A1POLBCA1
SCHEMBL8091579 0.90 MTNR1A (0.41) MTNR1AMTNR1BALDH1A1POLBCA1
SCHEMBL8095466 0.87 CYP2C19 (0.39) ALDH1A1RAB9A
SCHEMBL8095266 0.85 MMP1 (0.39) CA1CA2
SCHEMBL8091593 0.84 MTNR1A (0.41) MTNR1AMTNR1BALDH1A1POLBCA1
SCHEMBL8098087 0.83 MMP8 (0.44) ALDH1A1CNR1
SCHEMBL8091392 0.82 CYP2A6 (0.38) RAB9APARP1LMNA
SCHEMBL8083627 0.82 SMN1; SMN2 (0.44) ALDH1A1POLBCA1CA2CA9
SCHEMBL8095467 0.81 CYP3A4 (0.38) ALDH1A1RAB9A
SCHEMBL8091675 0.80 MAPT (0.34) ALDH1A1POLBPARP1LMNA

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