SCHEMBL5773463

SCHEMBL5773463

Clc1ccccc1N1CCN(CCCc2[nH]nc3c2CCCC3)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
ADRA1B P35368 4/20 0.48
ADRA1A P35348 3/20 0.48
ADRA1D P25100 2/20 0.46
HTR1A P08908 3/20 0.45
DRD2 P14416 4/20 0.43
DRD3 P35462 2/20 0.43
DRD1 P21728 1/20 0.43
HTR2A P28223 2/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42

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
SCHEMBL5775854 0.92 DRD2 (0.54) ADRA1AHTR1ADRD2DRD3DRD1
SCHEMBL5777128 0.89 DRD2 (0.53) ADRA1AHTR1ADRD2DRD3DRD1
SCHEMBL5773754 0.88 ADRA1B (0.49) ADRA1BADRA1AADRA1DHTR1ADRD3
SCHEMBL5778134 0.86 HTR1A (0.53) ADRA1BADRA1AADRA1DHTR1ADRD2
SCHEMBL5772576 0.85 HTR1A (0.48) HTR1ADRD2DRD3HTR2AHTR7
SCHEMBL5777048 0.85 DRD2 (0.56) HTR1ADRD2DRD3DRD1HTR2A
SCHEMBL5772832 0.85 SIGMAR1 (0.53) HTR1ADRD2DRD3HTR2AHTR7
SCHEMBL5796556 0.84 DRD2 (0.53) LMNAADRA1BADRA1AADRA1DHTR1A
SCHEMBL5772457 0.84 SIGMAR1 (0.52) HTR1ADRD2DRD3HTR2AHTR7
SCHEMBL5772229 0.83 SIGMAR1 (0.52) KDM4EHTR1ADRD2DRD3DRD1

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