SCHEMBL23851986

SCHEMBL23851986

O=C(O)COC[C@H]1CC[C@@H](COC(=O)Nc2ccc(-c3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 15/20 0.73
▸ PTGDR Q13258 5/20 0.56
▸ PTGER1 P34995 1/20 0.56
▸ PTGER4 P35408 1/20 0.56
▸ PTGER3 P43115 1/20 0.56
▸ PTGER2 P43116 1/20 0.56
▸ CHRM2 P08172 2/20 0.48
▸ CHRM1 P11229 2/20 0.48
▸ CHRM3 P20309 2/20 0.48
▸ BCHE P06276 2/20 0.47
▸ ACHE P22303 2/20 0.47
▸ MAOB P27338 1/20 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
SCHEMBL29019410 1.00 PTGIR (0.73) PTGIRPTGDRPTGER1PTGER4PTGER3
SCHEMBL23853931 1.00 PTGIR (0.73) PTGIRPTGDRPTGER1PTGER4PTGER3
SCHEMBL1118836 0.96 PTGIR (0.79) PTGIRPTGDRPTGER1PTGER4PTGER3
SCHEMBL1118834 0.96 PTGIR (0.79) PTGIRPTGDRPTGER1PTGER4PTGER3
SCHEMBL29019403 0.89 PTGIR (0.68) PTGIRPTGDRPTGER1PTGER4PTGER3
SCHEMBL29019417 0.88 PTGIR (0.64) PTGIRPTGDRCHRM2CHRM1CHRM3
SCHEMBL29019412 0.88 PTGIR (0.73) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL29019401 0.87 PTGIR (0.62) PTGIRPTGDRCHRM2CHRM1CHRM3
SCHEMBL29019378 0.87 PTGIR (0.62) PTGIRPTGDRPTGER1PTGER4PTGER3
SCHEMBL29019390 0.86 PTGIR (0.67) PTGIRPTGDRPTGER4PTGER3PTGER2

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-3884934-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2021-09-29 — — EP disclosed
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