SCHEMBL5729262

SCHEMBL5729262

NCCCCN1CCC(=C2c3ccccc3CSc3sccc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
JAK2 O60674 1/20 0.52
HTT P42858 1/20 0.52
DRD3 P35462 6/20 0.51
DRD2 P14416 3/20 0.51
CHRM2 P08172 4/20 0.46
ADRA2A P08913 4/20 0.46
CHRM1 P11229 4/20 0.46
DRD1 P21728 4/20 0.46
ADRA2B P18089 3/20 0.46
HTR2A P28223 3/20 0.46
HTR2C P28335 3/20 0.46
HRH1 P35367 3/20 0.46
HTR3A P46098 3/20 0.46
ADRA1A P35348 3/20 0.46
KCNH2 Q12809 3/20 0.46
ADRA2C P18825 2/20 0.46
CNR1 P21554 2/20 0.46
ADRA1D P25100 2/20 0.46
OPRK1 P41145 2/20 0.46

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
SCHEMBL8131101 0.90 LMNA (0.53) LMNAJAK2HTTDRD3DRD2
SCHEMBL5729939 0.86 DRD3 (0.69) LMNAJAK2HTTDRD3DRD2
SCHEMBL5728491 0.84 FNTA (0.50) LMNAHTTDRD3DRD2CHRM2
SCHEMBL83394 0.74 DRD3 (0.46) LMNAJAK2HTTDRD3DRD2
SCHEMBL3079984 0.73 DRD3 (0.51) LMNAJAK2HTTDRD3DRD2
Hydrochloric Acid SCHEMBL5729405 0.73 LMNA (0.84) LMNAJAK2HTTDRD3DRD2
SCHEMBL6808721 0.71 SETD7 (0.65) LMNAHTTDRD3DRD2CHRM2
SCHEMBL7682349 0.71 FNTA (0.53) LMNAJAK2HTTDRD3DRD2
SCHEMBL9844279 0.70 FNTA (0.54) LMNAHTTDRD3DRD2CHRM2
Hydrochloric Acid SCHEMBL5728654 0.70 DRD3 (0.61) DRD3DRD2HTR7HTR1AFNTA

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
EP-1044197-B1 PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKYNE CARBOXAMIDES AS CYTOSTATIC AGENTS AND IMMUNOSUPPRESSANTS ASTELLAS PHARMA GMBH (DE) 2006-04-19 EP disclosed
US-6593344-B1 These substances have especially high cytostatic activities and pronounced immunosuppressive properties which make them suitable for therapeutic treatment in broad tumor spectrum and autoimmune diseases KLINGE PHARMA GMBH (DE) 2003-07-15 US disclosed