SCHEMBL5320779

SCHEMBL5320779

CCN(C)C1CCN(C(=O)c2ccc3c(c2)nc(N2CCCCC2C)n3CC2CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.47
CNR2 P34972 3/20 0.46
PADI4 Q9UM07 11/20 0.43
PTGER4 P35408 3/20 0.43

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
SCHEMBL5316800 0.81 PTGER4 (0.49) CNR2PTGER4
SCHEMBL5316334 0.80 CNR2 (0.52) CNR2PTGER4
SCHEMBL5315360 0.80 ITK (0.43) CNR2PTGER4
SCHEMBL5315618 0.78 PTGER4 (0.51) CNR2PTGER4
SCHEMBL5318297 0.77 CNR2 (0.51) CNR2PTGER4
SCHEMBL5319931 0.74 HRH3 (0.49) HRH3CNR2PTGER4
SCHEMBL5315353 0.69 HRH3 (0.42) HRH3PADI4PTGER4
SCHEMBL2886424 0.64 HRH3 (1.00) HRH3
SCHEMBL5881837 0.63 CNR2 (0.81) CNR2
SCHEMBL2883718 0.63 HRH3 (0.67) HRH3

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