SCHEMBL9567970

SCHEMBL9567970

NC(C(=O)CC(c1ccccc1)c1ccccc1)C1CCc2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
PLAU P00749 1/20 0.38
MTNR1B P49286 5/20 0.38
MTNR1A P48039 4/20 0.38
OPRD1 P41143 1/20 0.38
DPP8 Q6V1X1 3/20 0.37
ANPEP P15144 1/20 0.37
CACNA2D1 P54289 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNB1 Q02641 1/20 0.37
CACNA1C Q13936 1/20 0.37
GRM7 Q14831 2/20 0.36
DPP4 P27487 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35

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
SCHEMBL3611898 0.81 PLAU (0.46) PLAUMTNR1BMTNR1AOPRD1DPP8
SCHEMBL8858441 0.80 PTGIR (0.58)
SCHEMBL9568005 0.76 TRPM8 (0.39) TDP1PLAUMTNR1BMTNR1AANPEP
SCHEMBL18984385 0.71 MTNR1A (0.44) PLAUMTNR1BMTNR1AOPRD1DPP8
SCHEMBL18984178 0.71 MTNR1A (0.45) MTNR1BMTNR1AOPRD1DPP8DPP4
SCHEMBL16594081 0.71 PLAU (0.52) PLAUMTNR1BMTNR1AANPEP
SCHEMBL11472821 0.70 MTNR1A (0.45) PLAUMTNR1BMTNR1AANPEP
Hydrochloric Acid SCHEMBL7706015 0.69 MTNR1A (0.40) MTNR1BMTNR1AANPEPGRM7
SCHEMBL18984177 0.69 MTNR1A (0.40) PLAUMTNR1BMTNR1AOPRD1DPP8
SCHEMBL9567973 0.69 HPGD (0.53) MTNR1BMTNR1AGRM7

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