SCHEMBL1725314

SCHEMBL1725314

O=[N+]([O-])C1CN(Cc2ccccc2)C[C@@H]1c1cc(F)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.51
DRD3 P35462 2/20 0.51
DPP4 P27487 4/20 0.49
ACHE P22303 6/20 0.46
BACE1 P56817 5/20 0.46
BCHE P06276 4/20 0.46
SIGMAR1 Q99720 3/20 0.43
CCR5 P51681 1/20 0.42
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
RORC P51449 1/20 0.40
FAAH O00519 1/20 0.39
PDE9A O76083 1/20 0.39
TACR1 P25103 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
SCHEMBL1725311 1.00 DRD2 (0.51) DRD2DRD3DPP4ACHEBACE1
SCHEMBL611817 1.00 DRD2 (0.51) DRD2DRD3DPP4ACHEBACE1
SCHEMBL611818 1.00 DRD2 (0.51) DRD2DRD3DPP4ACHEBACE1
SCHEMBL611816 1.00 DRD2 (0.51) DRD2DRD3DPP4ACHEBACE1
SCHEMBL1725367 0.92 DRD2 (0.49) DRD2DRD3DPP4ACHEBACE1
SCHEMBL149641 0.92 DRD2 (0.49) DRD2DRD3DPP4ACHEBACE1
SCHEMBL1725370 0.92 DRD2 (0.49) DRD2DRD3DPP4ACHEBACE1
SCHEMBL121059 0.92 DRD2 (0.49) DRD2DRD3DPP4ACHEBACE1
SCHEMBL149642 0.92 DRD2 (0.49) DRD2DRD3DPP4ACHEBACE1
SCHEMBL13186505 0.91 ACHE (0.52) DRD2DRD3DPP4ACHEBACE1

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-2406256-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2012-01-18 EP disclosed
WO-2010103335-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 WO disclosed