SCHEMBL7777367

SCHEMBL7777367

O=c1ccc(C(c2ccccc2)c2ccccc2)nn1C[C@H]1CCc2c(O)cccc2C1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 18/20 0.73
PTGDR Q13258 10/20 0.46
CYP19A1 P11511 1/20 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
SCHEMBL7772431 1.00 PTGIR (0.73) PTGIRPTGDRCYP19A1
SCHEMBL7772454 0.85 PTGIR (0.78) PTGIRPTGDRCYP19A1
SCHEMBL7772453 0.85 PTGIR (0.78) PTGIRPTGDRCYP19A1
SCHEMBL7776672 0.85 PTGIR (1.00) PTGIRPTGDR
SCHEMBL7776667 0.85 PTGIR (1.00) PTGIRPTGDR
SCHEMBL7777416 0.81 PTGIR (0.81) PTGIRPTGDR
SCHEMBL7777412 0.81 PTGIR (0.81) PTGIRPTGDR
SCHEMBL9017258 0.77 PTGIR (0.85) PTGIRPTGDR
SCHEMBL8414330 0.72 CYP19A1 (0.50) PTGIRCYP19A1
SCHEMBL8410999 0.72 CYP19A1 (0.50) PTGIRCYP19A1

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 4 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
WO-1995024393-A1 NAPHTHALENE DERIVATIVES AS PROSTAGLANDIN I2 AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-09-14 WO disclosed