SCHEMBL29019407

SCHEMBL29019407

O=C(O)COCC1CCC(COC(=O)Nc2ccc(-c3ccc(F)cn3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 18/20 0.62
▸ PTGDR Q13258 4/20 0.48
▸ MGLL Q99685 1/20 0.45
▸ PTPN1 P18031 1/20 0.43
▸ PTPN6 P29350 1/20 0.43
▸ PTPN11 Q06124 1/20 0.43
▸ PTGER4 P35408 1/20 0.42
▸ PTGER3 P43115 1/20 0.42
▸ PTGER2 P43116 1/20 0.42

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
SCHEMBL29019378 0.88 PTGIR (0.62) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL29019412 0.87 PTGIR (0.73) PTGIRPTGDRMGLLPTGER4PTGER3
SCHEMBL6517586 0.86 PTGIR (0.79) PTGIRPTGDRMGLLPTGER4PTGER3
SCHEMBL6517591 0.86 PTGIR (0.79) PTGIRPTGDRMGLLPTGER4PTGER3
SCHEMBL29019377 0.84 PTGIR (0.65) PTGIRPTGDRMGLLPTGER4PTGER3
SCHEMBL29019375 0.82 PTGIR (0.69) PTGIRPTGDRMGLLPTGER4PTGER3
SCHEMBL29019388 0.82 PTGIR (0.62) PTGIRPTGDRMGLLPTGER4PTGER3
SCHEMBL29019411 0.80 PTGIR (0.62) PTGIRPTGDRMGLLPTGER4PTGER3
SCHEMBL23851382 0.80 PTGIR (0.68) PTGIRPTGDRMGLLPTGER4PTGER3
SCHEMBL29019408 0.80 PTGIR (0.68) PTGIRPTGDRMGLLPTGER4PTGER3

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
CN-110003123-B Modulators of the PGI2 receptor for the treatment of prostacyclin (PGI 2) receptor related disorders 艾尼纳制药公司 2023-06-23 — — CN disclosed
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