SCHEMBL5315360

SCHEMBL5315360

CCN1CCC(N(CC)C(=O)c2ccc3c(c2)nc(N2CCCCC2C)n3CC2CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITK Q08881 2/20 0.43
CNR2 P34972 15/20 0.43
PTGER4 P35408 3/20 0.43
CNR1 P21554 7/20 0.42

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
SCHEMBL5318297 0.83 CNR2 (0.51) ITKCNR2PTGER4CNR1
SCHEMBL5316334 0.82 CNR2 (0.52) ITKCNR2PTGER4
SCHEMBL5316800 0.81 PTGER4 (0.49) CNR2PTGER4
SCHEMBL5320779 0.80 HRH3 (0.47) CNR2PTGER4
SCHEMBL5317039 0.80 ITK (0.46) ITKCNR2CNR1
SCHEMBL5315618 0.79 PTGER4 (0.51) CNR2PTGER4CNR1
SCHEMBL5317545 0.76 ITK (0.44) ITKCNR2PTGER4CNR1
SCHEMBL5317065 0.75 JAK2 (0.47) ITKCNR2CNR1
SCHEMBL5318216 0.74 ITK (0.43) ITKCNR2PTGER4CNR1
SCHEMBL5315730 0.73 ITK (0.46) ITKCNR2

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