SCHEMBL7879884

SCHEMBL7879884

Bc1ccc2c(c1)CCC(C(=O)N1CC(N3CCN(C(=O)C(F)(F)F)CC3)C1)N2C(C)=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
HRH3 Q9Y5N1 6/20 0.33
KMT2A Q03164 2/20 0.33
KCNH2 Q12809 1/20 0.33
NOTUM Q6P988 1/20 0.32
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
RORC P51449 2/20 0.31
NPC1 O15118 1/20 0.31
MTNR1B P49286 1/20 0.31
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 1/20 0.30

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
SCHEMBL697653 0.89 FAAH (0.37) TP53HRH3KMT2ANOTUMPDK1
SCHEMBL7877280 0.80 NPC1 (0.40) TP53KMT2ANOTUMMAPK1NPC1
SCHEMBL6840317 0.79 FAAH (0.40) TP53HRH3KMT2AMTNR1BPDK1
SCHEMBL711577 0.73 FAAH (0.42) HRH3PDK1PDK2PDK3PDK4
SCHEMBL697100 0.73 PDK1 (0.39) TP53KMT2ANPC1PDK1PDK2
SCHEMBL912141 0.73 MGLL (0.42) KCNH2
SCHEMBL7871489 0.71 MGLL (0.41)
SCHEMBL913063 0.71 MGLL (0.44)
SCHEMBL725445 0.70 MGLL (0.51)
SCHEMBL7868845 0.70 KMT2A (0.41) KMT2ANOTUMMAPK1NPC1PDK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010124082-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124116-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124114-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124086-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed