SCHEMBL702798

SCHEMBL702798

FC1(F)CCC(c2nc3ccccc3[nH]2)CC1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.57
KMT2A Q03164 1/20 0.50
HTR2B P41595 5/20 0.49
PKM P14618 1/20 0.46
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
PARP1 P09874 1/20 0.45
PARP2 Q9UGN5 1/20 0.45

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
SCHEMBL2276872 0.85 ALDH1A1 (0.59) NPY5RKMT2AHTR2BPKMALDH1A1
SCHEMBL15766752 0.84 NPY5R (0.47) NPY5RKMT2AHTR2BPKMALDH1A1
Hydrochloric Acid SCHEMBL31596380 0.83 MAPT (0.57) NPY5RKMT2AHTR2BPKMALDH1A1
SCHEMBL2674802 0.82 HTR2B (0.55) NPY5RKMT2AHTR2BPOLBMAPT
SCHEMBL6756134 0.82 NPC1 (0.59) NPY5RKMT2AHTR2BPOLBMAPT
SCHEMBL724921 0.80 NPC1 (0.62) NPY5RHTR2BPOLBMAPT
SCHEMBL6757201 0.80 NPC1 (0.62) NPY5RHTR2BPOLBMAPT
SCHEMBL723402 0.80 NPY5R (0.39) NPY5RKMT2AHTR2BMAPTPARP1
SCHEMBL2491336 0.79 HTR2B (0.52) NPY5RKMT2AHTR2BPKMALDH1A1
SCHEMBL2106423 0.79 HTR2B (0.52) NPY5RKMT2AHTR2BPKMALDH1A1

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-2421823-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
WO-2010124086-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed