SCHEMBL7960186

SCHEMBL7960186

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.54
DRD4 P21917 6/20 0.45
DRD3 P35462 2/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
DRD2 P14416 3/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HRH1 P35367 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HTR7 P34969 1/20 0.40

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
SCHEMBL7959536 0.78 SIGMAR1 (0.52) HTR1ADRD4DRD3KDM4EGAA
SCHEMBL7960090 0.77 HTR1A (0.54) HTR1ADRD4DRD3DRD2HTR2A
SCHEMBL7960945 0.73 HTR1A (0.55) HTR1ADRD4DRD3KDM4EGAA
SCHEMBL7960085 0.70 MAPT (0.45) DRD4DRD2
SCHEMBL14440419 0.69 HTR1A (0.61) HTR1ADRD4DRD3KDM4EGAA
SCHEMBL6598139 0.69 HTR1A (1.00) HTR1ADRD4DRD3DRD2
SCHEMBL5776291 0.68 SIGMAR1 (0.51) HTR1ADRD4DRD3KDM4EGAA
SCHEMBL7957403 0.68 MAPT (0.46) HTR1ADRD3KDM4EDRD2HTR2A
SCHEMBL7957648 0.67 SIGMAR1 (0.52) HTR1ADRD4DRD3KDM4EGAA
SCHEMBL7959986 0.67 HTR1A (0.51) HTR1ADRD4DRD3DRD2HTR2A

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