SCHEMBL5315599

SCHEMBL5315599

COC[C@H](C)Nc1nc2cc(C(=O)N(C)C3CCN(C)CC3)ccc2n1CC1CC1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.49
ITK Q08881 17/20 0.47
MRGPRX2 Q96LB1 2/20 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
SCHEMBL5315661 0.89 CNR2 (0.49) CNR2ITK
SCHEMBL5317405 0.83 PTGER4 (0.52) CNR2ITK
SCHEMBL5317411 0.83 PTGER4 (0.53) CNR2
SCHEMBL5317545 0.83 ITK (0.44) CNR2ITK
SCHEMBL5315622 0.77 TLR9 (0.46) ITKMRGPRX2
SCHEMBL5316334 0.75 CNR2 (0.52) CNR2ITK
SCHEMBL5315402 0.73 CNR2 (0.48) CNR2ITKMRGPRX2
SCHEMBL5315400 0.72 FLT3 (0.48) ITK
SCHEMBL5320783 0.72 ITK (0.47) ITKMRGPRX2
SCHEMBL5318212 0.72 JAK2 (0.49) CNR2ITKMRGPRX2

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