SCHEMBL2317618

SCHEMBL2317618

COc1ccc2c(c1)OC[C@@H]2COc1cccc2[nH]c(C(=O)NC3CCC(O)(CCN4CC[C@H](O)[C@@H](C)C4)CC3)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.35
DRD3 P35462 4/20 0.35
KMT2A Q03164 2/20 0.35
ACHE P22303 2/20 0.33
SLC2A1 P11166 1/20 0.33
POLB P06746 3/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPN11 Q06124 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR1A P08908 1/20 0.32
USP2 O75604 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HTR7 P34969 1/20 0.31

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
SCHEMBL13519613 1.00 DRD2 (0.35) DRD2DRD3KMT2AACHESLC2A1
SCHEMBL2315477 0.93 DRD2 (0.34) DRD2DRD3KMT2APOLBHTR1A
SCHEMBL12433051 0.93 DRD2 (0.34) DRD2DRD3KMT2APOLBHTR1A
SCHEMBL2317120 0.91 MCHR1 (0.34) DRD2DRD3KMT2AACHESLC2A1
SCHEMBL12432704 0.90 DRD2 (0.36) DRD2DRD3KMT2AACHEPOLB
SCHEMBL12433054 0.84 DRD2 (0.41) DRD2DRD3KMT2AACHEPOLB
SCHEMBL2321347 0.84 DRD2 (0.41) DRD2DRD3KMT2AACHEPOLB
SCHEMBL2321394 0.84 PTGIR (0.31) DRD2DRD3
SCHEMBL2319128 0.84 KMT2A (0.39) DRD2DRD3KMT2APOLBHTR1A
SCHEMBL13519606 0.84 KMT2A (0.39) DRD2DRD3KMT2APOLBHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125782-B1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2011-08-03 EP claimed
EP-2125782-B1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2011-08-03 EP disclosed