SCHEMBL9112987

SCHEMBL9112987

O=C(O)CNc1ccc(CCP(=O)(O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.44
FFAR4 Q5NUL3 2/20 0.44
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
S1PR1 P21453 4/20 0.39
S1PR3 Q99500 4/20 0.39
S1PR4 O95977 3/20 0.39
S1PR2 O95136 2/20 0.39
S1PR5 Q9H228 2/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL4083617 0.83 ENPP2 (0.47) FFAR1FFAR4
SCHEMBL9445994 0.81 S1PR1 (0.49) FFAR1S1PR1S1PR3S1PR4S1PR5
SCHEMBL10952623 0.79 FFAR1 (0.49) FFAR1FFAR4
SCHEMBL28506967 0.78 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5692310 0.78 ALDH1A1 (0.44) FFAR1FFAR4GRIN2DGRIN3BGRIN1
SCHEMBL10952675 0.77 L3MBTL1 (0.50) FFAR1FFAR4
SCHEMBL14557270 0.76 FFAR1 (0.48) FFAR1FFAR4
SCHEMBL157472 0.75 CA2 (0.50)
SCHEMBL5954234 0.75 FFAR1 (0.53) FFAR1FFAR4
SCHEMBL8633832 0.75 ALDH1A1 (0.61) S1PR1

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
EP-0648117-A1 DRUGS FOR PREVENTING THE DEVELOPMENT OF TOLERANCE DURING TREATMENT WITH BENZODIAZEPINE-RECEPTOR-BINDING SUBSTANCES. SCHERING AG (DE) 1995-04-19 EP disclosed