SCHEMBL8302667

SCHEMBL8302667

c1ccc2c(N3CCN(CCCCC4NCCS4)CC3)n[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.43
DRD2 P14416 9/20 0.42
DRD3 P35462 2/20 0.42
HTR2A P28223 10/20 0.41
HTR1A P08908 9/20 0.41
HTR7 P34969 2/20 0.41
HTR6 P50406 2/20 0.41
ADRA1D P25100 2/20 0.39
ADRA1B P35368 2/20 0.39
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
TBXA2R P21731 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL11996935 0.74 PARP1 (0.47) PARP1DRD2DRD3HTR2AHTR1A
SCHEMBL8446873 0.74 DRD2 (0.45) PARP1DRD2DRD3HTR2AHTR1A
SCHEMBL9759749 0.73 PARP1 (0.46) PARP1DRD2DRD3HTR2AHTR1A
SCHEMBL1545365 0.72 PARP1 (0.54) PARP1DRD2DRD3HTR2AHTR1A
SCHEMBL10416288 0.72 PARP1 (0.54) PARP1DRD2DRD3HTR2AHTR1A
SCHEMBL8447007 0.72 PARP1 (0.36) PARP1DRD2DRD3
SCHEMBL8302484 0.72 PARP1 (0.47) PARP1DRD2DRD3HTR2AHTR1A
Hydrochloric Acid SCHEMBL9778353 0.71 PARP1 (0.53) PARP1DRD2DRD3HTR2AHTR1A
SCHEMBL9778374 0.70 ABCB1 (0.60) PARP1DRD2DRD3HTR2AHTR1A
SCHEMBL1545624 0.70 PARP1 (0.52) PARP1DRD2DRD3HTR2AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4226979-A None JP disclosed
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-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-A3 3-(1,THIAZOLIDINYLBUTYL-4-PIPERAZINYL)-1H-INDAZOLES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS 1992-09-30 EP disclosed
JP-H04226979-A 3-(1-THIAZOLIDINYLBUTYL-4-PIPERAZINYL)-1H-INDAZOLE HOECHST ROUSSEL PHARMACEUT INC 1992-08-17 JP 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
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
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
US-5041445-A Antipsychotic agents HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-08-20 US disclosed
US-5041445-A Antipsychotic agents HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-08-20 US disclosed