SCHEMBL8302484

SCHEMBL8302484

CC1CN(CCCCN2CCN(c3n[nH]c4ccccc34)CC2)C(=O)S1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
DRD2 P14416 2/20 0.46
DRD3 P35462 1/20 0.46
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
HTR6 P50406 1/20 0.44

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
SCHEMBL9759749 0.82 PARP1 (0.46) PARP1DRD2DRD3HTR1AHTR2A
SCHEMBL8302001 0.78 PARP1 (0.48) PARP1DRD2DRD3
SCHEMBL9760169 0.77 HTR2A (0.52) PARP1DRD2DRD3HTR1AHTR2A
SCHEMBL8446873 0.75 DRD2 (0.45) PARP1DRD2DRD3HTR1AHTR2A
SCHEMBL8302387 0.75 PARP1 (0.47) PARP1
SCHEMBL8306648 0.75 DRD4 (0.54) PARP1HTR2A
SCHEMBL8301654 0.74 PARP1 (0.46) PARP1
SCHEMBL1545365 0.72 PARP1 (0.54) PARP1DRD2DRD3HTR1AHTR2A
SCHEMBL10416288 0.72 PARP1 (0.54) PARP1DRD2DRD3HTR1AHTR2A
SCHEMBL8302667 0.72 PARP1 (0.43) PARP1DRD2DRD3HTR1AHTR2A

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-0458234-B1 3-[1,Thiazolidinylbutyl-4-piperazinyl]-1H-indazoles, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1999-03-31 EP disclosed
EP-0458234-A2 3-[1,Thiazolidinylbutyl-4-piperazinyl]-1H-indazoles, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-11-27 EP disclosed