SCHEMBL5316334

SCHEMBL5316334

CC1CCCCN1c1nc2cc(C(=O)N(C)C3CCN(C)CC3)ccc2n1CC1CC1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.52
ITK Q08881 18/20 0.44
PTGER4 P35408 1/20 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 0.90 CNR2 (0.51) CNR2ITKPTGER4
SCHEMBL5316800 0.83 PTGER4 (0.49) CNR2PTGER4
SCHEMBL5315360 0.82 ITK (0.43) CNR2ITKPTGER4
SCHEMBL5315618 0.81 PTGER4 (0.51) CNR2PTGER4
SCHEMBL5320779 0.80 HRH3 (0.47) CNR2PTGER4
SCHEMBL5320022 0.78 ADORA2A (0.49) CNR2ITK
SCHEMBL5315599 0.75 CNR2 (0.49) CNR2ITK
SCHEMBL5318212 0.73 JAK2 (0.49) CNR2ITK
SCHEMBL5317398 0.73 ITK (0.49) CNR2ITK
SCHEMBL5318430 0.72 ITK (0.49) CNR2ITK

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