SCHEMBL14435114

SCHEMBL14435114

CCN1CCC2(CCc3cc(C(=O)NCCSC)ccc3O2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.43
DRD2 P14416 2/20 0.43
HTR2C P28335 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
HPGD P15428 3/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40

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
SCHEMBL5322616 0.81 RXRA (0.51) HTR2ADRD2HTR2CHDAC3HDAC4
SCHEMBL14435512 0.80 HTR2A (0.48) HTR2ADRD2HTR2CHRH3HDAC3
SCHEMBL5322191 0.79 HTR2A (0.42) HTR2ADRD2HTR2CSMN1; SMN2NPC1
SCHEMBL14435510 0.79 HTR2A (0.42) HTR2ADRD2HTR2CSMN1; SMN2NPC1
SCHEMBL14435508 0.77 EPHX2 (0.48) HTR2ADRD2HTR2CHRH3HDAC3
SCHEMBL14435509 0.76 TAS1R3 (0.42) HTR2ADRD2HTR2CSMN1; SMN2HRH3
SCHEMBL5325795 0.74 HTR2A (0.44) HTR2ADRD2HTR2CHRH3HDAC3
SCHEMBL14435119 0.73 NPC1 (0.48) HTR2ADRD2HTR2CNPC1RAB9A
SCHEMBL5320036 0.71 SIGMAR1 (0.46) HTR2ADRD2HTR2CHRH3HDAC3
SCHEMBL5320769 0.71 GPR119 (0.54) HTR2ADRD2HTR2CHDAC3HDAC4

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-2007088462-A1 SPIROCHROMANE ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-08-09 WO disclosed