SCHEMBL20877014

SCHEMBL20877014

OC(COc1ccccc1)CN(CC(O)COc1ccccc1)C1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.47
SLC6A4 P31645 5/20 0.47
POLB P06746 1/20 0.45
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
DRD4 P21917 4/20 0.44
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
SLC6A3 Q01959 3/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ADRB3 P13945 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL20877110 0.86 ALDH1A1 (0.47) SLC6A2SLC6A4PRMT5WDR77DRD4
SCHEMBL20877035 0.81 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL20877016 0.80 POLB (0.40) SLC6A2SLC6A4POLBPRMT5WDR77
SCHEMBL4897711 0.75 MEN1 (0.64) PRMT5WDR77MEN1KMT2AADRB3
SCHEMBL4897725 0.75 MEN1 (0.64) PRMT5WDR77MEN1KMT2AADRB3
SCHEMBL12122796 0.73 SLC6A2 (0.47) SLC6A2SLC6A4POLBSLC6A3MEN1
SCHEMBL7825517 0.73 PRMT5 (0.40) SLC6A2SLC6A4PRMT5WDR77L3MBTL1
SCHEMBL267463 0.71 LMNA (0.68) POLBL3MBTL1KDM4EMEN1KMT2A
SCHEMBL258823 0.71 HIF1A (0.75) POLBADRB3CYP2D6HIF1A
SCHEMBL10569173 0.70 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3KDM4EMEN1

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-3692018-A1 MODULATORS OF CELL ADHESION, METHODS AND COMPOSITIONS THEREFOR Blaschuk, Orest (US) 2020-08-12 EP disclosed
WO-2019070816-A1 MODULATORS OF CELL ADHESION, METHODS AND COMPOSITIONS THEREFOR Zonula Incorporated (CA) 2019-04-11 WO disclosed