SCHEMBL8416352

SCHEMBL8416352

Cc1nc(Cl)c(Cl)n1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.57
HTR7 P34969 7/20 0.56
DRD2 P14416 4/20 0.55
ADRA1A P35348 3/20 0.55
DRD3 P35462 3/20 0.55
HTR1A P08908 1/20 0.51
HRH4 Q9H3N8 1/20 0.51

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
SCHEMBL8416503 0.83 HTR1A (0.61) SIGMAR1HTR7DRD2DRD3HTR1A
SCHEMBL15748232 0.82 SIGMAR1 (0.59) SIGMAR1HTR7DRD2ADRA1ADRD3
SCHEMBL5848902 0.80 OPRL1 (0.54) SIGMAR1HTR7DRD2DRD3HTR1A
SCHEMBL11465528 0.79 SIGMAR1 (0.76) SIGMAR1HTR7DRD2ADRA1ADRD3
SCHEMBL13875122 0.78 SIGMAR1 (0.71) SIGMAR1HTR7DRD2ADRA1ADRD3
SCHEMBL8128060 0.78 SIGMAR1 (0.71) SIGMAR1HTR7DRD2ADRA1ADRD3
SCHEMBL15748175 0.78 SIGMAR1 (0.58) SIGMAR1HTR7DRD2ADRA1ADRD3
SCHEMBL5847783 0.77 HTR7 (0.51) SIGMAR1HTR7
SCHEMBL8129982 0.77 SIGMAR1 (0.70) SIGMAR1HTR7DRD2ADRA1ADRD3
SCHEMBL13875120 0.77 SIGMAR1 (0.69) SIGMAR1HTR7DRD2DRD3HTR1A

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
EP-0655248-B1 Use of 1-4-4-aryl(or heteroaryl)-1-piperazinylbutyl-1H-azole derivatives for the preparation of medicaments for the treatment of disorders of gastric secretion ESTEVE LABOR DR (ES) 1999-09-15 EP claimed
US-5532234-A Use of 1-[4-[4-aryl (or heteroaryl)-1-piperazinyl]-butyl)-1H-azole derivatives for the preparation of medicaments intended for the treatment of disorders of gastric secretion LABORATORIES DEL DR. ESTEVE, S.A. (ES) 1996-07-02 US claimed
EP-0655248-A1 Use of 1-4-4-aryl(or heteroaryl)-1-piperazinylbutyl-1H-azole derivatives for the preparation of medicaments for the treatment of disorders of gastric secretion LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1995-05-31 EP claimed
EP-0808166-A1 MEDICAMENT INTENDED TO THE TREATMENT OF OBSESSIVE COMPULSIVE TROUBLES, SLEEP APNOEA, SEXUAL DYSFUNCTIONS, EMESA AND TRANSPORT SICKNESS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1997-11-26 EP disclosed
WO-1997021439-A1 MEDICAMENT INTENDED TO THE TREATMENT OF OBSESSIVE COMPULSIVE TROUBLES, SLEEP APNOEA, SEXUAL DYSFUNCTIONS, EMESA AND TRANSPORT SICKNESS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1997-06-19 WO disclosed