SCHEMBL7959986

SCHEMBL7959986

Cn1nc(CCCN2CCN(c3ccc(F)cc3)CC2)c2c1CCCC2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.51
DRD2 P14416 9/20 0.51
HTR2A P28223 8/20 0.51
DRD3 P35462 8/20 0.51
SIGMAR1 Q99720 6/20 0.51
HRH1 P35367 6/20 0.51
TMEM97 Q5BJF2 5/20 0.51
HTR2C P28335 3/20 0.51
DRD1 P21728 4/20 0.49
DRD5 P21918 3/20 0.49
DRD4 P21917 3/20 0.47
SLC6A4 P31645 2/20 0.47
HRH2 P25021 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
PARP1 P09874 1/20 0.43
CHRM1 P11229 1/20 0.43
HTR2B P41595 1/20 0.43
HTR6 P50406 1/20 0.43
SLC6A3 Q01959 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
SCHEMBL7957403 0.89 MAPT (0.46) HTR1ADRD2HTR2ADRD3SIGMAR1
SCHEMBL7959536 0.88 SIGMAR1 (0.52) HTR1ADRD2HTR2ADRD3SIGMAR1
SCHEMBL7959137 0.88 SIGMAR1 (0.53) HTR1ADRD2HTR2ADRD3SIGMAR1
SCHEMBL5776218 0.85 DRD4 (0.49) HTR1ADRD2HTR2ADRD3SIGMAR1
SCHEMBL7959679 0.84 DRD3 (0.49) HTR1ADRD2HTR2ADRD3SIGMAR1
SCHEMBL5774589 0.81 HTR1A (0.48) HTR1ADRD2HTR2ADRD3SIGMAR1
SCHEMBL5772655 0.80 HTR1A (0.51) HTR1ADRD2HTR2ADRD3SIGMAR1
SCHEMBL7961390 0.79 HTR1A (0.51) HTR1ADRD2HTR2ADRD3SIGMAR1
SCHEMBL7963468 0.78 DRD3 (0.48) HTR1ADRD2HTR2ADRD3SIGMAR1
SCHEMBL7963930 0.76 SIGMAR1 (0.53) HTR1ADRD2HTR2ADRD3SIGMAR1

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-A1 FUSED HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-12-23 EP claimed
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