SCHEMBL4316951

SCHEMBL4316951

CN1CCc2ccc(-c3ccccc3)cc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.53
GRM5 P41594 1/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
PRF1 P14222 1/20 0.47
TYRO3 Q06418 1/20 0.46
NTRK2 Q16620 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 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
SCHEMBL8161845 0.88 OPRD1 (0.66) OPRD1GRM5MEN1KMT2AHRH3
SCHEMBL13611935 0.81 TYRO3 (0.43) OPRD1MEN1KMT2AHRH3PRF1
SCHEMBL13626332 0.81 HRH3 (0.54) OPRD1GRM5HRH3TYRO3NTRK2
SCHEMBL15571028 0.79 PRF1 (0.51) GRM5MEN1KMT2APRF1DDB1
SCHEMBL677630 0.78 GRM5 (0.58) OPRD1GRM5MEN1KMT2A
SCHEMBL22005067 0.77 NOTUM (0.50) OPRD1MEN1KMT2AHRH3
SCHEMBL12038178 0.77 MEN1 (0.54) GRM5MEN1KMT2ADDB1CRBN
SCHEMBL2386047 0.77 MEN1 (0.54) GRM5MEN1KMT2ADDB1CRBN
SCHEMBL30561539 0.77 MEN1 (0.54) GRM5MEN1KMT2ADDB1CRBN
SCHEMBL6109465 0.77 GRM5 (0.56) GRM5HRH3TYRO3NTRK2CLK4

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-2009118765-A2 NOVEL MONOAMINE RE-UPTAKE INHIBITOR PANACEA BIOTEC LIMITED (GB) 2009-10-01 WO disclosed