SCHEMBL8308708

SCHEMBL8308708

CC(=O)n1nc(N2CCN(CCCCN3CSC(C)C3=O)CC2)c2ccc(F)cc21

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.37
HTR1A P08908 3/20 0.37
DRD2 P14416 3/20 0.37
DRD4 P21917 2/20 0.37

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
SCHEMBL8307627 0.90 HTR1A (0.37) HTR2AHTR1ADRD2
SCHEMBL8304843 0.80 DRD4 (0.42) HTR2ADRD4
SCHEMBL8303832 0.79 DRD4 (0.39) HTR2AHTR1ADRD2DRD4
SCHEMBL7990176 0.74 DRD4 (0.45) HTR2ADRD2DRD4
SCHEMBL8306729 0.70 DRD4 (0.39) HTR2ADRD4
SCHEMBL9759749 0.69 PARP1 (0.46) HTR2AHTR1ADRD2
SCHEMBL7990198 0.69 HTR1A (0.63) HTR2AHTR1ADRD2
SCHEMBL7997114 0.68 HTR1A (0.60) HTR2AHTR1ADRD2
Oxalic Acid SCHEMBL7993398 0.66 KDM4E (0.63) HTR1ADRD2DRD4
SCHEMBL10415353 0.66 DRD3 (0.48) HTR2AHTR1ADRD2DRD4

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 3 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
US-5041445-A Antipsychotic agents HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-08-20 US disclosed