SCHEMBL2598133

SCHEMBL2598133

O=C1NCC2CN(Cc3ccccc3)CC2c2cc(Cl)ccc21

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.55
DRD3 P35462 11/20 0.55
DPP4 P27487 1/20 0.48
TRPV4 Q9HBA0 1/20 0.41
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
BACE1 P56817 2/20 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
SCHEMBL860674 1.00 DRD2 (0.55) DRD2DRD3DPP4TRPV4BCHE
SCHEMBL2598134 1.00 DRD2 (0.55) DRD2DRD3DPP4TRPV4BCHE
SCHEMBL860675 1.00 DRD2 (0.55) DRD2DRD3DPP4TRPV4BCHE
SCHEMBL861056 0.91 DPP4 (0.54) DRD2DRD3DPP4TRPV4
SCHEMBL2598154 0.91 DPP4 (0.54) DRD2DRD3DPP4TRPV4
SCHEMBL2598155 0.91 DPP4 (0.54) DRD2DRD3DPP4TRPV4
SCHEMBL861057 0.91 DPP4 (0.54) DRD2DRD3DPP4TRPV4
SCHEMBL860588 0.87 DRD2 (0.56) DRD2DRD3DPP4BCHEACHE
SCHEMBL860589 0.87 DRD2 (0.56) DRD2DRD3DPP4BCHEACHE
SCHEMBL2598052 0.87 DRD2 (0.56) DRD2DRD3DPP4BCHEACHE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571353-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2013-03-27 EP claimed
WO-2011146089-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-11-24 WO claimed
EP-2571353-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2013-03-27 EP disclosed
WO-2011146089-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-11-24 WO disclosed