SCHEMBL7868845

SCHEMBL7868845

Bc1ccc2c(c1)CCC(C(=O)OC)N2C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 4/20 0.37
HTT P42858 3/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
NOTUM Q6P988 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PDK1 Q15118 8/20 0.34
PDK2 Q15119 8/20 0.34
PDK3 Q15120 8/20 0.34
PDK4 Q16654 8/20 0.34
HSP90AA1 P07900 2/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL699899 0.85 PDK1 (0.46) KMT2AALDH1A1HTTTSHRLMNA
SCHEMBL7877280 0.79 NPC1 (0.40) KMT2AALDH1A1HTTNOTUMNPC1
SCHEMBL7336655 0.74 NOTUM (0.48) KMT2AALDH1A1HTTTSHRLMNA
SCHEMBL7338202 0.74 NOTUM (0.48) KMT2AALDH1A1HTTTSHRLMNA
SCHEMBL7343636 0.74 NOTUM (0.48) KMT2AALDH1A1HTTTSHRLMNA
SCHEMBL8742926 0.71 MTNR1A (0.47) ALDH1A1HTTTSHRLMNANOTUM
SCHEMBL7316234 0.71 MTNR1A (0.47) ALDH1A1HTTTSHRLMNANOTUM
SCHEMBL8742853 0.71 MTNR1A (0.47) ALDH1A1HTTTSHRLMNANOTUM
SCHEMBL5965361 0.70 KMT2A (0.51) KMT2ATSHRPDK1PDK2PDK3
SCHEMBL5965355 0.70 KMT2A (0.51) KMT2ATSHRPDK1PDK2PDK3

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 8 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-2010124086-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124102-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-2010124108-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-2010124112-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