SCHEMBL5317461

SCHEMBL5317461

CN1CCC(N(C)C(=O)c2ccc3c(c2)nc(NCCc2ccccc2)n3C)CC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.62
ITK Q08881 12/20 0.54
MRGPRX2 Q96LB1 3/20 0.51
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44

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
SCHEMBL5320783 0.83 ITK (0.47) ITKMRGPRX2
SCHEMBL5316556 0.81 HDAC6 (0.63) HDAC6ITKMRGPRX2LMNAADORA2A
SCHEMBL5318327 0.80 HDAC6 (0.81) HDAC6TP53MAPT
SCHEMBL5315622 0.78 TLR9 (0.46) ITKMRGPRX2ADORA2AADORA1
SCHEMBL5315400 0.77 FLT3 (0.48) ITK
SCHEMBL19058676 0.77 HDAC6 (1.00) HDAC6
SCHEMBL5318309 0.77 HDAC6 (0.76) HDAC6TP53MAPT
SCHEMBL5320022 0.76 ADORA2A (0.49) HDAC6ITKMRGPRX2ADORA2AADORA1
SCHEMBL5319144 0.75 LMNA (0.60) ITKMRGPRX2LMNAADORA2AADORA1
SCHEMBL5316718 0.71 LMNA (0.49) ITKMRGPRX2LMNAADORA2AADORA1

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