SCHEMBL5776684

SCHEMBL5776684

c1ccc(N2CCN(CCCc3[nH]nc4c3CCC4)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.53
KCNH2 Q12809 2/20 0.51
CYP2D6 P10635 1/20 0.48
DRD2 P14416 5/20 0.46
HTR1A P08908 2/20 0.46
PARP1 P09874 1/20 0.46
DRD3 P35462 3/20 0.46
DRD4 P21917 2/20 0.46
HTR2A P28223 1/20 0.45
HRH1 P35367 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
HTR7 P34969 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL5772832 0.98 SIGMAR1 (0.53) SIGMAR1KCNH2CYP2D6DRD2HTR1A
SCHEMBL5772457 0.96 SIGMAR1 (0.52) SIGMAR1KCNH2CYP2D6DRD2HTR1A
Maleic Acid SCHEMBL5773645 0.89 DRD2 (0.45) SIGMAR1KCNH2DRD2HTR1APARP1
Fumaric Acid SCHEMBL5773660 0.89 DRD2 (0.45) SIGMAR1KCNH2DRD2HTR1APARP1
SCHEMBL7964122 0.88 MAPT (0.45) SIGMAR1KCNH2DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL5770744 0.87 SIGMAR1 (0.51) SIGMAR1DRD2HTR1ADRD3DRD4
Hydrochloric Acid SCHEMBL5775839 0.86 HTR1A (0.45) SIGMAR1DRD2HTR1APARP1DRD3
SCHEMBL5774541 0.86 HTR1A (0.49) SIGMAR1DRD2HTR1APARP1DRD3
SCHEMBL5775439 0.86 MAPT (0.45) SIGMAR1KCNH2DRD2DRD3DRD4
SCHEMBL5772229 0.86 SIGMAR1 (0.52) SIGMAR1DRD2HTR1ADRD3DRD4

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