SCHEMBL5315645

SCHEMBL5315645

CCN1CCC2(C=Cc3cc(CN4CCCC4)ccc3O2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 3/20 0.41
BRD4 O60885 1/20 0.39
CCL2 P13500 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
MCHR2 Q969V1 3/20 0.39

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
SCHEMBL14494715 0.91 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5313523 0.89 DRD2 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5313073 0.73 SIGMAR1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4275257 0.72 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5312116 0.69 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1175564 0.68 HDAC3 (0.82) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14494676 0.64 SIGMAR1 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13062752 0.64 ALDH1A1 (0.64) DRD2ADRA1AALDH1A1SMN1; SMN2HTT
SCHEMBL8002464 0.64 ADRA1A (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5314150 0.63 SIGMAR1 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007063385-A2 SPIROCYCLIC AMINE HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2007-06-07 WO claimed
WO-2007063385-A2 SPIROCYCLIC AMINE HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2007-06-07 WO disclosed
WO-2007063385-A2 SPIROCYCLIC AMINE HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2007-06-07 WO disclosed