SCHEMBL9568085

SCHEMBL9568085

O=C(NN=CCC1CCc2ccccc2C1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 7/20 0.41
CYP19A1 P11511 1/20 0.39
PREP P48147 4/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
GHSR Q92847 1/20 0.37
NPY1R P25929 1/20 0.36
NPY5R Q15761 1/20 0.36
MCHR1 Q99705 1/20 0.36

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
SCHEMBL9568081 1.00 PTGIR (0.41) PTGIRCYP19A1PREPHTR1AHTR1D
SCHEMBL9047616 0.84 PTGIR (0.43) PTGIRCYP19A1
SCHEMBL8858492 0.83 PTGIR (0.66) PTGIR
SCHEMBL8858488 0.83 PTGIR (0.66) PTGIR
SCHEMBL9567977 0.81 NPY5R (0.40) PTGIRMTNR1AMTNR1BGHSRNPY5R
SCHEMBL9567980 0.81 NPY5R (0.40) PTGIRMTNR1AMTNR1BGHSRNPY5R
SCHEMBL9568058 0.77 NPY1R (0.42) PTGIRCYP19A1PREPHTR1AHTR1D
SCHEMBL9049221 0.70 GAA (0.34) PTGIR
SCHEMBL9049217 0.70 GAA (0.34) PTGIR
SCHEMBL8858420 0.69 PTGIR (0.59) PTGIR

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