SCHEMBL1044541

SCHEMBL1044541

[CH2][C@@H]1COc2ccc(Br)cc2O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
AHR P35869 3/20 0.42
CA2 P00918 1/20 0.41
CYP19A1 P11511 1/20 0.39
FFAR1 O14842 3/20 0.37
PBRM1 Q86U86 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
MAOB P27338 2/20 0.33
PYGL P06737 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
PKM P14618 1/20 0.32
NPR1 P16066 1/20 0.32

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
SCHEMBL1043068 0.78 LTA4H (0.45) CA2CYP19A1FFAR1DRD2DRD3
SCHEMBL1044542 0.78 PBRM1 (0.50) BLMLMNAMAPTHTTAHR
SCHEMBL1877574 0.78 CA2 (0.48) AHRCA2CYP19A1FFAR1DRD2
SCHEMBL1042715 0.78 LTA4H (0.45) CA2CYP19A1FFAR1DRD2DRD3
SCHEMBL1879364 0.78 CYP3A4 (0.52) DRD2DRD3MAOBCYP3A4
SCHEMBL16656033 0.78 PBRM1 (0.50) BLMLMNAMAPTHTTAHR
SCHEMBL15864958 0.76 CA2 (0.54) BLMLMNAMAPTHTTAHR
SCHEMBL15864961 0.76 CA2 (0.54) BLMLMNAMAPTHTTAHR
SCHEMBL20612385 0.76 RPS6KB2 (0.46) BLMLMNAMAPTHTTCA2
SCHEMBL1079302 0.74 NISCH (0.48) LMNAMAPTHTTMEN1KMT2A

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-2271635-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-01-12 EP disclosed
WO-2009133109-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2009-11-05 WO disclosed