SCHEMBL1721160

SCHEMBL1721160

O=C(O)NC1CN(Cc2ccccc2)CC1NC(=O)CCC(F)(F)CBr

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM4 P08173 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 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
SCHEMBL1721155 1.00 SIGMAR1 (0.43) SIGMAR1L3MBTL1POLBDRD2DRD4
SCHEMBL146403 0.87 KMT2A (0.45) SIGMAR1L3MBTL1DRD2DRD4DRD3
SCHEMBL146402 0.87 KMT2A (0.45) SIGMAR1L3MBTL1DRD2DRD4DRD3
SCHEMBL459129 0.87 KMT2A (0.45) SIGMAR1L3MBTL1DRD2DRD4DRD3
SCHEMBL3919781 0.82 CCR2 (0.44) SIGMAR1S1PR1S1PR5
SCHEMBL3919779 0.82 CCR2 (0.44) SIGMAR1S1PR1S1PR5
SCHEMBL3928674 0.80 SIGMAR1 (0.44) SIGMAR1L3MBTL1POLBDRD2DRD4
SCHEMBL3928676 0.80 SIGMAR1 (0.44) SIGMAR1L3MBTL1POLBDRD2DRD4
SCHEMBL3931359 0.79 SIGMAR1 (0.41) SIGMAR1DRD2DRD4DRD3CHRM4
SCHEMBL3931356 0.79 SIGMAR1 (0.41) SIGMAR1DRD2DRD4DRD3CHRM4

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-2406251-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2012-01-18 EP disclosed
WO-2010103334-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 WO disclosed