SCHEMBL29019404

SCHEMBL29019404

O=C(O)COCC1CCC(COC(=O)Nc2ccc(-c3ccc(Cl)c(F)c3)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 15/20 0.64
▸ PTGDR Q13258 4/20 0.56
▸ MGLL Q99685 2/20 0.48
▸ CHRM2 P08172 2/20 0.43
▸ CHRM1 P11229 2/20 0.43
▸ CHRM3 P20309 2/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.43

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
SCHEMBL29019417 0.92 PTGIR (0.64) PTGIRPTGDRMGLLCHRM2CHRM1
SCHEMBL29019390 0.91 PTGIR (0.67) PTGIRPTGDRMGLLCHRM3
SCHEMBL29019391 0.90 PTGIR (0.56) PTGIRPTGDRMGLLCHRM2CHRM1
SCHEMBL29019402 0.88 PTGIR (0.64) PTGIRPTGDRMGLL
SCHEMBL23851986 0.86 PTGIR (0.73) PTGIRPTGDRCHRM2CHRM1CHRM3
SCHEMBL29019412 0.86 PTGIR (0.73) PTGIRPTGDRMGLLCHRM2CHRM1
SCHEMBL29019410 0.86 PTGIR (0.73) PTGIRPTGDRCHRM2CHRM1CHRM3
SCHEMBL23853931 0.86 PTGIR (0.73) PTGIRPTGDRCHRM2CHRM1CHRM3
SCHEMBL29019375 0.85 PTGIR (0.69) PTGIRPTGDRMGLL
SCHEMBL29019401 0.85 PTGIR (0.62) PTGIRPTGDRMGLLCHRM2CHRM1

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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