SCHEMBL5754882

SCHEMBL5754882

O=[N+]([O-])c1cccc(S(=O)(=O)N(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
GRIN2B Q13224 2/20 0.49
GRIN2A Q12879 1/20 0.49
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
KDM1A O60341 1/20 0.47
PKM P14618 1/20 0.46
HTR7 P34969 2/20 0.46
CCR3 P51677 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
CCR5 P51681 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
SCHEMBL5755950 0.86 CCR3 (0.54) GRIN2BGRIN2ASLC6A2SLC6A4HTR7
SCHEMBL5758878 0.86 GRIN2B (0.50) MEN1KMT2AGRIN2BGRIN2ASLC6A2
SCHEMBL4632909 0.83 MEN1 (0.65) MEN1KMT2AGRIN2BGRIN2ASLC6A2
SCHEMBL5754009 0.82 KMT2A (0.49) MEN1KMT2ASLC6A2SLC6A4CCR3
SCHEMBL5757610 0.82 OPRM1 (0.55) MEN1KMT2ASLC6A2SLC6A4HTR7
SCHEMBL4832798 0.80 MEN1 (0.60) MEN1KMT2AGRIN2BGRIN2ASLC6A2
SCHEMBL5758216 0.77 ALDH1A1 (0.57) MEN1KMT2AGRIN2BGRIN2ASLC6A2
SCHEMBL5758268 0.77 CCR5 (0.57) MEN1KMT2AGRIN2BGRIN2ASLC6A2
SCHEMBL6007256 0.74 MEN1 (0.56) MEN1KMT2AGRIN2BGRIN2ASLC6A2
SCHEMBL25758337 0.74 SLC6A2 (0.58) MEN1KMT2AGRIN2BGRIN2ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401821-A4 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORP (KR) 2006-05-31 EP claimed
EP-1401821-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK Corporation (KR) 2004-03-31 EP claimed
WO-2002100848-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORPORATION (KR) 2002-12-19 WO claimed
EP-1401821-A4 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORP (KR) 2006-05-31 EP disclosed
EP-1401821-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK Corporation (KR) 2004-03-31 EP disclosed
WO-2002100848-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORPORATION (KR) 2002-12-19 WO disclosed