SCHEMBL9017305

SCHEMBL9017305

[CH2]C1CCc2c(cccc2OCC(=O)OC)C1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
PTGIR P43119 12/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
ACHE P22303 2/20 0.46
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
DRD4 P21917 2/20 0.44

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
SCHEMBL8524473 0.88 PTGIR (0.45) MTNR1AMTNR1BPTGIR
SCHEMBL9017314 0.87 MTNR1A (0.50) MTNR1AMTNR1BPTGIRCA1CA2
SCHEMBL8576525 0.82 PTGIR (0.62) PTGIR
SCHEMBL8576529 0.82 MTNR1A (0.48) MTNR1AMTNR1BPTGIRCA1CA2
SCHEMBL8410514 0.82 PTGIR (0.54) MTNR1AMTNR1BPTGIR
SCHEMBL10464119 0.82 MTNR1A (0.74) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL8488188 0.82 MTNR1A (0.60) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL9005627 0.80 PTGIR (0.45) MTNR1AMTNR1BPTGIRCA1CA2
SCHEMBL8488192 0.80 MTNR1A (0.44) MTNR1AMTNR1BPTGIRCA1CA2
SCHEMBL9005623 0.80 PTGIR (0.45) MTNR1AMTNR1BPTGIRCA1CA2

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-0749424-A1 NAPHTHALENE DERIVATIVES AS PROSTAGLANDIN I2 AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 EP disclosed