SCHEMBL7769084

SCHEMBL7769084

O=C(O)C1=Cc2ccccc2Oc2c(Br)cccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
TRPA1 O75762 4/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
GPR84 Q9NQS5 1/20 0.34
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CSNK2A3 Q8NEV1 1/20 0.33
KMT2A Q03164 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
PRNP P04156 1/20 0.32
MYC P01106 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 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
SCHEMBL4043208 0.81 LMNA (0.70) LMNACA12CA9TRPA1MAOA
SCHEMBL7769086 0.81 GPR84 (0.39) LMNACA12CA9TRPA1GPR84
Hydrochloric Acid SCHEMBL4045240 0.80 LMNA (0.68) LMNACA12CA9TRPA1MAOA
SCHEMBL7769535 0.77 LMNA (0.33) LMNACA12CA9TRPA1GPR84
SCHEMBL4041075 0.75 LMNA (0.71) LMNACA12CA9MAOAMAOB
SCHEMBL7769585 0.75 DRD2 (0.33) LMNAGPR84DRD2DRD4
SCHEMBL4037495 0.72 LMNA (0.56) LMNATRPA1GPR84KMT2AALDH1A1
SCHEMBL503745 0.71 MAOA (0.50) LMNACA12CA9MAOAMAOB
SCHEMBL30895284 0.71 MAOA (0.50) LMNACA12CA9MAOAMAOB
SCHEMBL18516202 0.70 MAPK1 (0.44) MAOAMAOBCSNK2A2CSNK2BCSNK2A1

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-0726265-B1 10-Aminoaliphatyl-dibenz(b,f)oxepins with antineurodegenarative activity NOVARTIS AG (CH) 2001-07-25 EP disclosed
EP-0726265-A1 10-Aminoaliphatyl-dibenz(b,f)oxepins with antineurodegenarative activity CIBA-GEIGY AG (CH) 1996-08-14 EP disclosed