SCHEMBL8144530

SCHEMBL8144530

CC1=NC(C(=O)N2CCCC[C@H]2Cc2nc3c(C)cccn3c2Cl)C(c2ccccc2)S1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.33
DAGLA Q9Y4D2 4/20 0.33
ABHD6 Q9BV23 2/20 0.33
TP53 P04637 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMO Q99835 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
RXFP1 Q9HBX9 2/20 0.32
ABHD11 Q8NFV4 1/20 0.31
GAA P10253 1/20 0.31
TRPC3 Q13507 1/20 0.31
TRPC6 Q9Y210 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31

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
SCHEMBL8154568 0.91 DAGLA (0.34) THRBDAGLAABHD6TP53ALDH1A1
SCHEMBL8142373 0.84 DAGLA (0.34) DAGLAABHD6KMT2AMEN1ABHD11
SCHEMBL8154618 0.83 DAGLA (0.36) DAGLAABHD6ABHD11
SCHEMBL8146791 0.82 DAGLB (0.37) DAGLAABHD6
SCHEMBL8146211 0.82 KDM4E (0.47) ALDH1A1MAPK1
SCHEMBL4167405 0.82 ALDH1A1 (0.38) THRBDAGLATP53ALDH1A1MAPK1
SCHEMBL8146332 0.81 NPC1 (0.35) DAGLAABHD6TP53ALDH1A1TDP1
SCHEMBL8145765 0.79 KDM4E (0.40) DAGLAABHD6TP53ALDH1A1SMO
SCHEMBL8150602 0.79 DAGLA (0.35) DAGLAABHD6ALDH1A1
SCHEMBL7933772 0.77 DAGLA (0.34) DAGLAABHD6SMOABHD11PRMT5

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-2009003993-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-01-08 WO disclosed