SCHEMBL7960090

SCHEMBL7960090

Cn1nc(C(=O)CCN2CCN(c3ccc(Cl)cc3)CC2)c2c1CCCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.54
SOD1 P00441 1/20 0.52
KMT2A Q03164 1/20 0.48
HTR7 P34969 3/20 0.47
DRD4 P21917 6/20 0.47
DRD2 P14416 5/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HRH1 P35367 2/20 0.47
DRD3 P35462 2/20 0.47
CHRM1 P11229 1/20 0.47
DRD1 P21728 1/20 0.47
SLC6A4 P31645 1/20 0.47
HTR2B P41595 1/20 0.47
HTR6 P50406 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
HRH3 Q9Y5N1 1/20 0.44
CACNA1G O43497 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
SCHEMBL7960085 0.79 MAPT (0.45) DRD4DRD2HRH3
SCHEMBL7959536 0.78 SIGMAR1 (0.52) HTR1AHTR7DRD4DRD2HTR2A
SCHEMBL7960186 0.77 HTR1A (0.54) HTR1AHTR7DRD4DRD2HTR2A
SCHEMBL7964127 0.74 GRM5 (0.44) KMT2A
SCHEMBL15996827 0.72 HTR1A (0.66) HTR1ASOD1KMT2AHTR7DRD4
SCHEMBL5009446 0.71 HTR1A (0.72) HTR1ASOD1KMT2AHTR7DRD4
SCHEMBL7959076 0.70 HTR1A (0.56) HTR1ASOD1KMT2AHTR7DRD4
SCHEMBL20673837 0.69 GRM5 (0.47) KMT2A
SCHEMBL7959079 0.69 HTR1A (0.58) HTR1ASOD1KMT2AHTR7DRD4
SCHEMBL7961081 0.69 DRD2 (0.50) HTR1ADRD4DRD2HTR2AHTR2C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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