SCHEMBL5776645

SCHEMBL5776645

Clc1cccc(N2CCN(CCCc3[nH]nc4c3CCCC4)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.57
SIGMAR1 Q99720 2/20 0.57
HTR1A P08908 2/20 0.54
ADRA2A P08913 1/20 0.54
CHRM1 P11229 1/20 0.54
DRD1 P21728 1/20 0.54
SLC6A4 P31645 1/20 0.54
ADRA1A P35348 1/20 0.54
OPRM1 P35372 1/20 0.54
DRD3 P35462 1/20 0.54
SLC6A3 Q01959 1/20 0.54
PARP1 P09874 1/20 0.50
HTR7 P34969 1/20 0.47

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
SCHEMBL5772229 0.87 SIGMAR1 (0.52) SIGMAR1HTR1ADRD1SLC6A4DRD3
SCHEMBL5772832 0.87 SIGMAR1 (0.53) KCNH2SIGMAR1HTR1ADRD3PARP1
SCHEMBL5774841 0.86 HTR7 (0.42) SIGMAR1HTR1ADRD1SLC6A4DRD3
SCHEMBL5776696 0.86 SIGMAR1 (0.51) SIGMAR1HTR1ADRD1SLC6A4DRD3
SCHEMBL5772457 0.85 SIGMAR1 (0.52) KCNH2SIGMAR1HTR1ADRD3PARP1
SCHEMBL5773811 0.85 KCNH2 (0.59) KCNH2SIGMAR1HTR1AADRA2ADRD1
SCHEMBL5774848 0.85 HTR7 (0.56) SIGMAR1HTR1ADRD1DRD3HTR7
SCHEMBL5776684 0.84 SIGMAR1 (0.53) KCNH2SIGMAR1HTR1ADRD3PARP1
Hydrochloric Acid SCHEMBL5770744 0.84 SIGMAR1 (0.51) SIGMAR1HTR1ADRD1SLC6A4DRD3
SCHEMBL5773754 0.83 ADRA1B (0.49) KCNH2HTR1ACHRM1ADRA1ADRD3

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-0885883-B1 FUSED HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF MITSUBISHI PHARMA CORP (JP) 2006-11-02 EP disclosed
US-6187774-B1 N-PIPERAZINYLALKYLINDAZOLE DERIVATIVES; PSYCHOLOGICAL DISORDERS, SCHIZOPHRENIA; SIDE EFFECT REDUCTION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2001-02-13 US disclosed
EP-0885883-A1 FUSED HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-12-23 EP disclosed