SCHEMBL16685154

SCHEMBL16685154

COc1cccc2c1CCN2CCN

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
DRD2 P14416 4/20 0.42
DRD3 P35462 3/20 0.42
DRD1 P21728 1/20 0.42
DRD5 P21918 1/20 0.42
HTR1A P08908 3/20 0.40
DRD4 P21917 2/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
MTNR1A P48039 1/20 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
SCHEMBL28757155 0.83 NOTUM (0.55) NOTUMHDAC1HDAC6DRD2HTR1A
SCHEMBL3427936 0.82 HTR1A (0.53) NOTUMDRD2DRD3HTR1ADRD4
SCHEMBL5905917 0.80 NOTUM (0.47) NOTUMDRD2DRD4HTR2CHTR2B
SCHEMBL11304976 0.78 HTR6 (0.62) NOTUMHDAC1HDAC6DRD2HTR1A
SCHEMBL16685030 0.78 ALDH1A1 (0.42) NOTUM
SCHEMBL5905832 0.78 NOTUM (0.47) NOTUMDRD2DRD3DRD4
SCHEMBL2625801 0.77 NOTUM (0.59) NOTUMDRD2DRD3DRD1DRD5
SCHEMBL7039803 0.77 NOTUM (0.50) NOTUMHDAC1HDAC6DRD2DRD3
SCHEMBL16685120 0.76 NOTUM (0.46) NOTUMDRD2DRD3DRD4HTR2C
SCHEMBL16684830 0.76 KDM4E (0.41) NOTUMDRD2DRD3DRD4

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-2015066344-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. (US) 2015-05-07 WO disclosed