SCHEMBL9568058

SCHEMBL9568058

O=C(NNCC1CCc2ccccc2C1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 4/20 0.42
NPY5R Q15761 4/20 0.42
PTGIR P43119 2/20 0.42
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
CYP19A1 P11511 1/20 0.41
PREP P48147 4/20 0.40
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
GRIN2B Q13224 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2C P18825 1/20 0.39
GHSR Q92847 1/20 0.39
TPH1 P17752 1/20 0.38
HDAC3 O15379 1/20 0.38

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
SCHEMBL8858443 0.81 PTGIR (0.68) PTGIR
SCHEMBL9048206 0.79 PTGIR (0.48) PTGIRCYP19A1
SCHEMBL9568081 0.77 PTGIR (0.41) NPY1RNPY5RPTGIRHTR1AHTR1D
SCHEMBL9568085 0.77 PTGIR (0.41) NPY1RNPY5RPTGIRHTR1AHTR1D
SCHEMBL12422869 0.74 ADRA1D (0.58) NPY1RNPY5RHTR1AHTR1DADRA1D
SCHEMBL30612421 0.70 DGAT1 (0.58) HTR1ACYP19A1PREPMTNR1AMTNR1B
SCHEMBL7292707 0.70 DGAT1 (0.58) HTR1ACYP19A1PREPMTNR1AMTNR1B
SCHEMBL7304447 0.70 DGAT1 (0.58) HTR1ACYP19A1PREPMTNR1AMTNR1B
SCHEMBL3406500 0.70 DGAT1 (0.58) HTR1ACYP19A1PREPMTNR1AMTNR1B
SCHEMBL9567980 0.69 NPY5R (0.40) NPY5RPTGIRMTNR1AMTNR1BGHSR

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-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP disclosed