SCHEMBL5317314

SCHEMBL5317314

CN1CCC2(C=Cc3cc(N4CCCC4)ccc3O2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.45
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
HRH4 Q9H3N8 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
HTR2B P41595 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL521129 0.80 HTR2C (0.48) HTR2CDRD2HTR2AHDAC3HDAC4
SCHEMBL5313523 0.79 DRD2 (0.47) HTR2CDRD2HTR2AHDAC3HDAC4
SCHEMBL3413391 0.76 HTR2C (0.62) HTR2CDRD2HTR2AHDAC3HDAC4
SCHEMBL13005015 0.69 HTR2C (0.70) HTR2CDRD2HTR2AHTR2BADRA1D
SCHEMBL30065894 0.68 ODC1 (0.41) ALDH1A1MEN1MAPTALOX15KMT2A
SCHEMBL5315645 0.68 HDAC3 (0.48) HTR2CDRD2HTR2AHDAC3HDAC4
SCHEMBL30066045 0.66 KDM4E (0.44) HRH4ALDH1A1MEN1MAPTKMT2A
SCHEMBL29191747 0.65 ODC1 (0.41) HTR2CALDH1A1MEN1MAPTALOX15
SCHEMBL13296368 0.64 TERT (0.43) ALDH1A1MEN1MAPTALOX15KMT2A
SCHEMBL21922967 0.62 ALDH1A1 (0.44) HRH4ALDH1A1MEN1MAPTALOX15

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 1 patent. 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