SCHEMBL4000255

SCHEMBL4000255

CN1CCCN(C(=O)CCN2CCNCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
KMT2A Q03164 2/20 0.43
PHGDH O43175 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
KDM1A O60341 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8185716 0.94 PHGDH (0.47) ITGB3ITGA2BKMT2APHGDHTDP1
SCHEMBL4000787 0.90 ITGB3 (0.52) ITGB3ITGA2BKMT2ATDP1ALDH1A1
SCHEMBL8191172 0.87 PHGDH (0.47) ITGB3ITGA2BKMT2APHGDHHTT
SCHEMBL8186175 0.87 ITGB3 (0.52) ITGB3ITGA2BKMT2ATDP1ALDH1A1
SCHEMBL4000321 0.86 GAA (0.50) KMT2APHGDHTDP1HTTLMNA
SCHEMBL11489916 0.83 KDM1A (0.48) ITGB3ITGA2BKMT2ATDP1LMNA
SCHEMBL4462112 0.83 KMT2A (0.48) KMT2ATDP1HTTLMNAHTR1A
SCHEMBL14084962 0.80 MAPT (0.48) ITGB3ITGA2BALDH1A1HTR1AHTR7
SCHEMBL24207657 0.80 L3MBTL3 (0.43) ITGB3ITGA2BKMT2AALDH1A1KDM1A
SCHEMBL1906248 0.78 GAA (0.52) PHGDHTDP1LMNAALDH1A1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606288-B1 BENZENESULPHONAMIDE DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF FOR TREATMENT OF PAIN FOURNIER LAB SA (FR) 2009-06-03 EP disclosed