SCHEMBL5319079

SCHEMBL5319079

CCCN1CCCC(N(C)C(=O)c2ccc3c(c2)nc(N2CCCC(O)C2)n3CCC)CC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITK Q08881 17/20 0.49
HRH3 Q9Y5N1 1/20 0.44
CNR2 P34972 1/20 0.43
KDM2B Q8NHM5 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
SCHEMBL5318430 0.93 ITK (0.49) ITKHRH3CNR2
SCHEMBL5318236 0.88 ITK (0.49) ITKHRH3CNR2
SCHEMBL5316323 0.86 ITK (0.48) ITKHRH3CNR2
SCHEMBL5320026 0.82 PTGER4 (0.47) KDM2B
Water SCHEMBL5319087 0.81 PTGER4 (0.46) KDM2B
SCHEMBL5318415 0.80 KDM4E (0.49) CNR2KDM2B
SCHEMBL5315353 0.80 HRH3 (0.42) ITKHRH3
SCHEMBL5318297 0.78 CNR2 (0.51) ITKCNR2
SCHEMBL5317398 0.78 ITK (0.49) ITKCNR2
SCHEMBL5315592 0.76 ITK (0.53) ITK

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
WO-2007069053-A1 BENZIMIDAZOLE ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-06-21 WO claimed
WO-2007069053-A1 BENZIMIDAZOLE ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-06-21 WO disclosed