SCHEMBL7779671

SCHEMBL7779671

COc1cccc2c1CCC(COC(=O)N(c1ccccc1)c1ccccc1)C2

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 10/20 0.77
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
ACHE P22303 2/20 0.51
PTGDR Q13258 5/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
CYP19A1 P11511 1/20 0.49
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
DRD2 P14416 3/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47

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
SCHEMBL7776687 0.88 PTGIR (0.82) PTGIRPTGDR
SCHEMBL7772466 0.87 PTGIR (1.00) PTGIRPTGDR
SCHEMBL7777424 0.85 PTGIR (0.72) PTGIRCA1CA2ACHEPTGDR
SCHEMBL7778633 0.85 PTGIR (0.80) PTGIRPTGDR
SCHEMBL7776652 0.83 PTGIR (0.66) PTGIRPTGDR
SCHEMBL7713222 0.81 PTGIR (0.89) PTGIRPTGDR
SCHEMBL7713218 0.79 PTGIR (0.63) PTGIRPTGDR
SCHEMBL7713214 0.78 PTGIR (0.59) PTGIRPTGDR
SCHEMBL8412774 0.78 CHRM2 (0.62) PTGIRCA1CA2ACHECHRM2
SCHEMBL7776662 0.77 PTGIR (0.81) PTGIRPTGDR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749424-B1 NAPHTHALENE DERIVATIVES AS PROSTAGLANDIN I2 AGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-12 EP disclosed
US-5863918-A HYPOTENSIVE AGENTS, ANTICOAGULANTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-01-26 US disclosed
US-5763489-A ANTICOAGULANTS AND HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
EP-0749424-A1 NAPHTHALENE DERIVATIVES AS PROSTAGLANDIN I2 AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 EP disclosed
WO-1995024393-A1 NAPHTHALENE DERIVATIVES AS PROSTAGLANDIN I2 AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-09-14 WO disclosed