SCHEMBL5313786

SCHEMBL5313786

O=C(N[C@H](CCCO)C(=O)O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 7/20 0.50
NPY5R Q15761 4/20 0.50
MME P08473 2/20 0.50
POLB P06746 1/20 0.49
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47

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
SCHEMBL5313792 1.00 NPY1R (0.50) NPY1RNPY5RMMEPOLBCNR1
SCHEMBL6787370 0.86 MME (0.66) NPY1RNPY5RMMEPOLBCNR1
SCHEMBL7597310 0.86 NPY1R (0.52) NPY1RNPY5RMMEPOLBCNR1
SCHEMBL8121995 0.86 NPY1R (0.52) NPY1RNPY5RMMEPOLBCNR1
SCHEMBL7597314 0.86 NPY1R (0.52) NPY1RNPY5RMMEPOLBCNR1
SCHEMBL9197461 0.85 CPB2 (0.55) NPY1RNPY5RMMENPY4RCTSD
SCHEMBL8118883 0.85 CPB2 (0.55) NPY1RNPY5RMMENPY4RCTSD
SCHEMBL8118882 0.85 CPB2 (0.55) NPY1RNPY5RMMENPY4RCTSD
Hydrochloric Acid SCHEMBL9200911 0.85 NPY1R (0.51) NPY1RNPY5RMMEPOLBCNR1
SCHEMBL8584406 0.82 CTSB (0.55) NPY1RNPY5RMMEPOLBCNR1

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-2007064272-A1 BENZHYDRYL AMIDE DERIVATIVES AS CANNABINOID RECEPTOR ANTAGONISTS OR INVERSE AGONISTS ASTRAZENECA AB (SE) 2007-06-07 WO disclosed