SCHEMBL694774

SCHEMBL694774

Cc1cccc2cc(-c3ccc(F)cc3)[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
DAO P14920 1/20 0.45
DDO Q99489 1/20 0.45
DHODH Q02127 1/20 0.44
CYP1A1 P04798 2/20 0.42
NPY5R Q15761 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
GCGR P47871 3/20 0.41
MAPK14 Q16539 3/20 0.41
TNKS O95271 2/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
HDAC11 Q96DB2 1/20 0.40
CTSV O60911 1/20 0.40

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
SCHEMBL4884445 0.84 DHODH (0.55) GAADAODDODHODHNPY5R
SCHEMBL16382926 0.83 KDM4E (0.56) MGAMGAASIMGAM2DAO
SCHEMBL16105092 0.82 DAO (0.50) DAODDODHODHNPY5RNSD2
SCHEMBL11653533 0.81 KDM4E (0.60) CYP1A1NPY5RCYP1A2CYP1B1TNKS
SCHEMBL16382909 0.78 DAO (0.46) DAODDODHODHNPY5RCYP1A2
SCHEMBL695236 0.78 CYP1A1 (0.40) MGAMGAASIMGAM2CYP1A1
SCHEMBL14694268 0.75 GAA (0.47) MGAMGAASIMGAM2DAO
SCHEMBL6028357 0.74 DHODH (0.59) DHODHHDAC11
SCHEMBL30963683 0.74 KDM4E (0.40) DAODDODHODHNPY5RTNKS
SCHEMBL24098965 0.73 NPY5R (0.42) CYP1A1NPY5RCYP1A2CYP1B1GCGR

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-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed