SCHEMBL5772576

SCHEMBL5772576

c1cc2c(c(N3CCN(CCCc4[nH]nc5c4CCCC5)CC3)c1)CCCC2

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.48
DRD2 P14416 9/20 0.48
HTR2A P28223 6/20 0.48
FAAH O00519 1/20 0.40
DRD3 P35462 1/20 0.40
HTR7 P34969 1/20 0.38

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
SCHEMBL5796556 0.86 DRD2 (0.53) HTR1ADRD2HTR2ADRD3
SCHEMBL5773463 0.85 KDM4E (0.49) HTR1ADRD2HTR2ADRD3HTR7
SCHEMBL5778134 0.85 HTR1A (0.53) HTR1ADRD2HTR2ADRD3HTR7
SCHEMBL5775854 0.85 DRD2 (0.54) HTR1ADRD2HTR2AFAAHDRD3
SCHEMBL5775488 0.83 DRD2 (0.52) HTR1ADRD2HTR2ADRD3
SCHEMBL5777128 0.82 DRD2 (0.53) HTR1ADRD2HTR2AFAAHDRD3
SCHEMBL5777048 0.82 DRD2 (0.56) HTR1ADRD2HTR2ADRD3HTR7
SCHEMBL5772832 0.81 SIGMAR1 (0.53) HTR1ADRD2HTR2ADRD3HTR7
SCHEMBL5772457 0.81 SIGMAR1 (0.52) HTR1ADRD2HTR2ADRD3HTR7
SCHEMBL5776684 0.79 SIGMAR1 (0.53) HTR1ADRD2HTR2ADRD3HTR7

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