SCHEMBL7777382

SCHEMBL7777382

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 6/20 0.59
PTGDR Q13258 3/20 0.59
PTGER1 P34995 1/20 0.59
PTGER3 P43115 1/20 0.59
ACHE P22303 3/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
ADRA2A P08913 1/20 0.38
KCNH2 Q12809 1/20 0.37
GHSR Q92847 1/20 0.37
SRD5A1 P18405 1/20 0.37
SRD5A2 P31213 1/20 0.37
CHRM4 P08173 2/20 0.37
CHRM3 P20309 2/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
BCHE P06276 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
SCHEMBL7772434 0.89 PTGIR (0.76) PTGIRPTGDRPTGER1PTGER3
SCHEMBL7776713 0.85 PTGIR (0.63) PTGIRPTGDRPTGER1PTGER3
SCHEMBL7777223 0.74 PTGIR (0.78) PTGIRPTGDRPTGER1PTGER3
SCHEMBL29760759 0.74 PTGIR (1.00) PTGIRPTGDRPTGER1PTGER3
SCHEMBL7778677 0.74 PTGIR (1.00) PTGIRPTGDRPTGER1PTGER3
SCHEMBL6612991 0.74 PTGIR (1.00) PTGIRPTGDRPTGER1PTGER3
SCHEMBL6612986 0.74 PTGIR (1.00) PTGIRPTGDRPTGER1PTGER3
SCHEMBL7776620 0.74 PTGIR (0.67) PTGIRPTGDRPTGER1PTGER3CHRM4
SCHEMBL7778395 0.74 PTGIR (0.67) PTGIRPTGDRPTGER1PTGER3CHRM4
SCHEMBL7779671 0.74 PTGIR (0.77) PTGIRPTGDRACHECA1CA2

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