SCHEMBL9680355

SCHEMBL9680355

FC(F)(F)c1ccc(-n2nc(N3CCN(CC4CC4)CC3)c3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
DRD4 P21917 1/20 0.41
GRM2 Q14416 1/20 0.41
HTR2A P28223 3/20 0.40
HTR7 P34969 3/20 0.40
HTR6 P50406 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTR1A P08908 3/20 0.39
HTR2C P28335 2/20 0.39
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EBP Q15125 1/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
CHRM2 P08172 1/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 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
SCHEMBL9681952 0.88 LMNA (0.45) HTR2AHTR1AHTR2CMAPTDRD2
SCHEMBL9682466 0.87 DRD3 (0.47) DRD4HTR2AHTR7HTR6HTR1A
Hydrochloric Acid SCHEMBL9680782 0.87 LMNA (0.44) HTR2AHTR1AHTR2CMAPTDRD2
SCHEMBL9763384 0.85 KHK (0.48) DRD4GRM2HTR2AHTR7HTR6
SCHEMBL9680665 0.83 MAPK1 (0.46) SLC6A2SLC6A4DRD4GRM2HTR7
SCHEMBL9683244 0.83 SIGMAR1 (0.54) SLC6A2SLC6A4DRD4GRM2NPSR1
Hydrochloric Acid SCHEMBL9681380 0.82 SIGMAR1 (0.53) SLC6A2SLC6A4DRD4GRM2NPSR1
SCHEMBL9680624 0.82 CYP1A2 (0.46) DRD4GRM2HTR1AHTR2CMAPT
SCHEMBL9682489 0.79 HTR6 (0.47) HTR6NPSR1HTR1AHTR2CMAPT
Hydrochloric Acid SCHEMBL9680573 0.78 HTR6 (0.46) HTR6NPSR1HTR1AHTR2CMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4999356-A Analgesics, antidepressants, anticonvulsants HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1991-03-12 US claimed
US-5134236-A Analgesics, antidepressants, anticonvulsants HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-07-28 US disclosed
US-4999356-A Analgesics, antidepressants, anticonvulsants HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1991-03-12 US disclosed
EP-0302423-A2 1-Phenyl-3-(1-piperazinyl)-1h-indazoles, a process and intermediates for their preparation, and the use thereof as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-02-08 EP disclosed
EP-0297923-A1 Benzodioxane prostacyclin analogues, their preparation and use SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1989-01-04 EP disclosed