SCHEMBL5775488

SCHEMBL5775488

Cc1cccc(N2CCN(CCCCc3[nH]nc4c3CCCC4)CC2)c1C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.52
HTR1A P08908 4/20 0.52
ADRA1A P35348 3/20 0.52
HTR2A P28223 3/20 0.52
HTR2C P28335 2/20 0.52
SLC6A4 P31645 2/20 0.52
ADRA1B P35368 2/20 0.52
DRD1 P21728 1/20 0.52
ADRA1D P25100 1/20 0.52
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
DRD3 P35462 2/20 0.48
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
HTR6 P50406 1/20 0.45
GAA P10253 2/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.43

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 0.97 DRD2 (0.53) DRD2HTR1AADRA1AHTR2AHTR2C
SCHEMBL5777128 0.84 DRD2 (0.53) DRD2HTR1AADRA1AHTR2ADRD1
SCHEMBL5772576 0.83 HTR1A (0.48) DRD2HTR1AHTR2ADRD3
SCHEMBL5773463 0.81 KDM4E (0.49) DRD2HTR1AADRA1AHTR2AADRA1B
SCHEMBL5778134 0.81 HTR1A (0.53) DRD2HTR1AADRA1AHTR2AHTR2C
SCHEMBL5775854 0.81 DRD2 (0.54) DRD2HTR1AADRA1AHTR2ASLC6A4
SCHEMBL5777048 0.80 DRD2 (0.56) DRD2HTR1AHTR2AHTR2CDRD1
SCHEMBL5775439 0.78 MAPT (0.45) DRD2ADRA1AADRA1BADRA1DMEN1
SCHEMBL5772832 0.78 SIGMAR1 (0.53) DRD2HTR1AHTR2ADRD3
SCHEMBL7959840 0.77 DRD3 (0.57) DRD2HTR1AHTR2AHTR2CSLC6A4

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