SCHEMBL2598895

SCHEMBL2598895

O=C1NC[C@H]2CN(Cc3ccccc3)CC2c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.50
DRD3 P35462 7/20 0.50
PARP3 Q9Y6F1 1/20 0.46
PARP1 P09874 1/20 0.44
S1PR1 P21453 1/20 0.42
S1PR5 Q9H228 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
DPP4 P27487 1/20 0.41
FUCA1 P04066 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL1801902 1.00 DRD2 (0.50) DRD2DRD3PARP3PARP1S1PR1
SCHEMBL861844 1.00 DRD2 (0.50) DRD2DRD3PARP3PARP1S1PR1
SCHEMBL861843 1.00 DRD2 (0.50) DRD2DRD3PARP3PARP1S1PR1
SCHEMBL2598894 1.00 DRD2 (0.50) DRD2DRD3PARP3PARP1S1PR1
SCHEMBL1801900 1.00 DRD2 (0.50) DRD2DRD3PARP3PARP1S1PR1
SCHEMBL19818358 1.00 DRD2 (0.50) DRD2DRD3PARP3PARP1S1PR1
SCHEMBL861650 0.90 DPP4 (0.46) DRD2DRD3PARP1S1PR1S1PR5
SCHEMBL861651 0.90 DPP4 (0.46) DRD2DRD3PARP1S1PR1S1PR5
SCHEMBL861215 0.90 DPP4 (0.46) DRD2DRD3PARP1S1PR1S1PR5
SCHEMBL861216 0.90 DPP4 (0.46) DRD2DRD3PARP1S1PR1S1PR5

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-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