SCHEMBL2316735

SCHEMBL2316735

COc1ccc2c(CCOc3cccc4[nH]c(C(=O)NC5CCC(O)(CCN6CC[C@H](O)[C@@H](C)C6)CC5)cc34)coc2c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.38
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HTR1A P08908 1/20 0.34
CXCR3 P49682 1/20 0.34
LTA4H P09960 3/20 0.33
ACHE P22303 2/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
KCNH2 Q12809 1/20 0.32
MCHR1 Q99705 1/20 0.32
MAOA P21397 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL14134841 1.00 MAOB (0.38) MAOBDRD2DRD3KMT2AALDH1A1
SCHEMBL12432842 1.00 MAOB (0.38) MAOBDRD2DRD3KMT2AALDH1A1
SCHEMBL2314393 0.95 MAOB (0.39) MAOBDRD2DRD3KMT2AALDH1A1
SCHEMBL12433997 0.95 MAOB (0.39) MAOBDRD2DRD3KMT2AALDH1A1
SCHEMBL2314267 0.91 MAOB (0.36) MAOBDRD2DRD3KMT2AALDH1A1
SCHEMBL12433996 0.91 DRD2 (0.35) MAOBDRD2DRD3KMT2AHTR1A
SCHEMBL2315661 0.90 DRD2 (0.34) MAOBDRD2DRD3KMT2AHTR1A
SCHEMBL12432614 0.90 DRD2 (0.34) MAOBDRD2DRD3KMT2AHTR1A
SCHEMBL2317089 0.89 HTR7 (0.35) MAOBDRD2DRD3KMT2AALDH1A1
SCHEMBL14135130 0.89 HTR7 (0.35) MAOBDRD2DRD3KMT2AALDH1A1

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