SCHEMBL8307680

SCHEMBL8307680

CC1SC(C)(C)C(=O)N1CCCCN1CCN(c2n[nH]c3cc(F)ccc23)CC1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.65
DRD4 P21917 2/20 0.65
HTR7 P34969 5/20 0.41
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR6 P50406 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
SCHEMBL8302548 0.89 DRD4 (0.67) HTR2ADRD4
SCHEMBL8301640 0.88 DRD4 (0.66) HTR2ADRD4
SCHEMBL9760169 0.87 HTR2A (0.52) HTR2ADRD4HTR7DRD2HTR6
SCHEMBL8306615 0.81 HTR2A (0.43) HTR2ADRD4HTR7DRD2HTR6
SCHEMBL8302347 0.81 DRD4 (0.43) HTR2ADRD4
SCHEMBL7679404 0.79 DRD4 (1.00) HTR2ADRD4ADRA1A
SCHEMBL8303832 0.78 DRD4 (0.39) HTR2ADRD4HTR7DRD2
SCHEMBL9778524 0.77 HTR2A (0.44) HTR2AHTR7DRD2
SCHEMBL8307413 0.76 DRD4 (0.44) HTR2ADRD4
SCHEMBL7993160 0.76 DRD4 (0.59) HTR2ADRD4

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