SCHEMBL4789567

SCHEMBL4789567

CNCCC1(CCCCOC)c2ccccc2C(=O)N1F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TYMS P04818 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.35
PDK2 Q15119 2/20 0.34
HSD11B1 P28845 1/20 0.33
HSD11B2 P80365 1/20 0.33
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
TP53 P04637 1/20 0.32
MDM2 Q00987 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
SCHEMBL499370 0.64 ASAH1 (0.35) MAPTALDH1A1KDM4EHTTPDK2
SCHEMBL499002 0.62 AKR1A1 (0.33) MAPTALDH1A1KDM4EGAA
SCHEMBL28249000 0.62 PGR (0.46) NPSR1ALDH1A1KDM4E
SCHEMBL29908236 0.61 RAB9A (0.60) MAPT
SCHEMBL13256446 0.61 RAB9A (0.60) MAPT
SCHEMBL13256445 0.60 TDP1 (0.58) MAPT
SCHEMBL13256453 0.60 TDP1 (0.58) MAPT
SCHEMBL12661123 0.60 TDP1 (0.58) MAPT
SCHEMBL29384887 0.60 TDP1 (0.58) MAPT
SCHEMBL15923240 0.60 TDP1 (0.58) MAPT

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-2008156816-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed