SCHEMBL7778560

SCHEMBL7778560

O=C(O)COc1cccc2c1CCC(NC(=O)OC(c1ccccc1)c1ccccc1)C2

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 16/20 0.62
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
ACHE P22303 1/20 0.53
TBXAS1 P24557 2/20 0.50
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48

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
SCHEMBL7778511 0.89 CA1 (0.53) PTGIRCA1CA2ACHETBXAS1
SCHEMBL8484202 0.85 CA1 (0.62) PTGIRCA1CA2ACHEMTNR1A
SCHEMBL7772419 0.84 PTGIR (0.68) PTGIRTBXAS1
SCHEMBL7772433 0.81 PTGIR (0.61) PTGIRTBXAS1
SCHEMBL9048642 0.78 PTGIR (0.62) PTGIRTBXAS1
SCHEMBL7778591 0.77 PTGIR (0.66) PTGIRTBXAS1
SCHEMBL8488188 0.76 MTNR1A (0.60) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL9048866 0.76 PTGIR (0.68) PTGIRTBXAS1
SCHEMBL9005607 0.76 PTGIR (0.74) PTGIRTBXAS1
SCHEMBL10357583 0.76 TBXA2R (0.58) PTGIRCA1CA2ACHE

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