SCHEMBL2599005

SCHEMBL2599005

Cc1cc(CN2CC3CNC(=O)c4ccccc4C3C2)cc(C(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP3 Q9Y6F1 1/20 0.38
DRD2 P14416 4/20 0.35
DRD3 P35462 4/20 0.35
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
S1PR1 P21453 3/20 0.34
S1PR5 Q9H228 2/20 0.34
KMT2A Q03164 1/20 0.34
GRIN2B Q13224 2/20 0.34
P2RY2 P41231 1/20 0.34
PDE9A O76083 2/20 0.34
KDM1A O60341 2/20 0.33
PARP1 P09874 1/20 0.32
BCHE P06276 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
SCHEMBL2598179 0.90 PARP3 (0.39) PARP3DRD2DRD3PDE9APARP1
SCHEMBL2598178 0.90 PARP3 (0.39) PARP3DRD2DRD3PDE9APARP1
SCHEMBL860339 0.90 PARP3 (0.39) PARP3DRD2DRD3PDE9APARP1
SCHEMBL860340 0.90 PARP3 (0.39) PARP3DRD2DRD3PDE9APARP1
SCHEMBL2598140 0.83 MEN1 (0.43) DRD2DRD3KMT2APDE9ABCHE
SCHEMBL2598139 0.83 MEN1 (0.43) DRD2DRD3KMT2APDE9ABCHE
SCHEMBL860645 0.83 MEN1 (0.43) DRD2DRD3KMT2APDE9ABCHE
SCHEMBL860646 0.83 MEN1 (0.43) DRD2DRD3KMT2APDE9ABCHE
SCHEMBL2598895 0.82 DRD2 (0.50) PARP3DRD2DRD3S1PR1S1PR5
SCHEMBL2598894 0.82 DRD2 (0.50) PARP3DRD2DRD3S1PR1S1PR5

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