SCHEMBL22337366

SCHEMBL22337366

CCc1ccnc2c1CCCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NOS3 P29474 3/20 0.36
NOS2 P35228 3/20 0.36
NOS1 P29475 2/20 0.36
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
GRM4 Q14833 1/20 0.33
TP53 P04637 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33

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
SCHEMBL18542965 0.96 HTR2A (0.38) HTR2AHTR2CHTR2BALDH1A1POLB
SCHEMBL18629743 0.81 HTR2C (0.40) HTR2AHTR2CHTR2BPOLBTSHR
SCHEMBL31321403 0.80 MEN1 (0.46) HTR2AHTR2CHTR2BMAPTSMN1; SMN2
SCHEMBL13641224 0.78 HTR2A (0.33) HTR2AHTR2CHTR2BNOS3NOS2
SCHEMBL24469681 0.77 CHRNE (0.40) TSHRL3MBTL1NOS3NOS2NOS1
SCHEMBL21923213 0.77 HTR2C (0.42) HTR2AHTR2CHTR2BALDH1A1NOS3
SCHEMBL11017100 0.77 NOS3 (0.33) ALDH1A1TSHRMAPK1NOS3NOS2
SCHEMBL10286088 0.77 HTR2A (0.35) HTR2AHTR2CHTR2BALDH1A1TSHR
SCHEMBL795349 0.75 NOS3 (0.44) HTR2AHTR2CHTR2BNOS3NOS2
SCHEMBL20661751 0.75 HTR2C (0.43) HTR2AHTR2CHTR2BKMT2A

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-2020163193-A1 BICYCLIC ETHER O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. (US) 2020-08-13 WO disclosed