SCHEMBL8091498

SCHEMBL8091498

NCCC[CH]NC(=O)c1ccc(C23CCC(Cl)(CC2)CC3)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
MAOB P27338 1/20 0.32
MEN1 O00255 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
NCOR2 Q9Y618 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
SCHEMBL8083552 0.96 CTSB (0.33) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL8095262 0.89 HDAC3 (0.32) CYP1A2TSHRNFKB1MAOBHDAC3
SCHEMBL8091664 0.84 POLB (0.33)
SCHEMBL8095242 0.83 SPHK1 (0.32)
SCHEMBL8095325 0.81 POLB (0.33)
SCHEMBL8091503 0.80 SMYD3 (0.47) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL8083555 0.79 NAMPT (0.46) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL8090161 0.73 SPHK1 (0.33)
SCHEMBL8083595 0.72 CTSB (0.34)
SCHEMBL8098109 0.71 ALDH1A1 (0.33)

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