SCHEMBL5778134

SCHEMBL5778134

c1ccc2c(N3CCN(CCCc4[nH]nc5c4CCCC5)CC3)cccc2c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.53
DRD2 P14416 9/20 0.53
HTR2A P28223 8/20 0.53
HTR2C P28335 4/20 0.53
DRD1 P21728 3/20 0.53
HTR3A P46098 2/20 0.48
ADRA1D P25100 2/20 0.48
ADRA1A P35348 2/20 0.48
ADRA1B P35368 2/20 0.48
SLC6A4 P31645 1/20 0.47
HTR7 P34969 5/20 0.46
HTR6 P50406 2/20 0.45
KCNH2 Q12809 1/20 0.45
DRD3 P35462 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
SCHEMBL5773463 0.86 KDM4E (0.49) HTR1ADRD2HTR2ADRD1ADRA1D
SCHEMBL5772576 0.85 HTR1A (0.48) HTR1ADRD2HTR2AHTR7DRD3
SCHEMBL5796556 0.84 DRD2 (0.53) HTR1ADRD2HTR2AHTR2CDRD1
SCHEMBL5775854 0.83 DRD2 (0.54) HTR1ADRD2HTR2ADRD1ADRA1A
SCHEMBL5777048 0.82 DRD2 (0.56) HTR1ADRD2HTR2AHTR2CDRD1
SCHEMBL5772832 0.82 SIGMAR1 (0.53) HTR1ADRD2HTR2AHTR7KCNH2
SCHEMBL5772457 0.81 SIGMAR1 (0.52) HTR1ADRD2HTR2AHTR7KCNH2
SCHEMBL5776276 0.81 SIGMAR1 (0.58) HTR1ADRD2HTR2AHTR2CDRD1
SCHEMBL5775488 0.81 DRD2 (0.52) HTR1ADRD2HTR2AHTR2CDRD1
SCHEMBL5777128 0.80 DRD2 (0.53) HTR1ADRD2HTR2ADRD1ADRA1A

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