SCHEMBL6032136

SCHEMBL6032136

CCn1c2c(c3ccccc31)CCCC2NCCCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PRMT5 O14744 1/20 0.42
GRIN2B Q13224 4/20 0.42
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
ABCB1 P08183 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
TBXA2R P21731 1/20 0.39
PTGDR Q13258 1/20 0.39

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
SCHEMBL6032231 0.97 PRMT5 (0.43) MAPTMAPK1NPSR1PRMT5GRIN2B
SCHEMBL6031776 0.84 PRMT5 (0.44) MAPTMAPK1NPSR1PRMT5L3MBTL1
SCHEMBL6031345 0.80 KDM4E (0.43) MAPK1L3MBTL1ABCB1ABCG2
SCHEMBL6031507 0.77 PRMT5 (0.53) MAPTMAPK1NPSR1PRMT5L3MBTL1
SCHEMBL6030382 0.75 PRMT5 (0.45) MAPTMAPK1NPSR1PRMT5ABCB1
SCHEMBL5450374 0.68 MAPT (0.51) MAPTMAPK1NPSR1
SCHEMBL6031350 0.68 TBXA2R (0.49) TDP1TBXA2RPTGDR
SCHEMBL4191487 0.67 HTR1A (0.49) MAPTMAPK1NPSR1GRIN2B
Hydrochloric Acid SCHEMBL9595244 0.67 EPHX2 (0.61) GRIN2BSIGMAR1
Hydrochloric Acid SCHEMBL7326598 0.67 EPHX2 (0.61) GRIN2BSIGMAR1

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-1678137-A1 COMPOSITIONS AND METHODS FOR VIRAL INHIBITION CHIRON CORPORATION (US) 2006-07-12 EP disclosed
WO-2005037791-A1 COMPOSITIONS AND METHODS FOR VIRAL INHIBITION CHIRON CORPORATION (US) 2005-04-28 WO disclosed