SCHEMBL29019394

SCHEMBL29019394

COc1cc(NC(=O)OCC2CCC(COCC(=O)O)CC2)ccc1-c1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 13/20 0.57
▸ PTGDR Q13258 3/20 0.51
▸ CHRM3 P20309 6/20 0.50
▸ PTGER4 P35408 1/20 0.49
▸ PTGER3 P43115 1/20 0.49
▸ PTGER2 P43116 1/20 0.49
▸ MGLL Q99685 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
SCHEMBL29019379 0.90 PTGIR (0.56) PTGIRPTGDRCHRM3PTGER4PTGER3
SCHEMBL23851382 0.86 PTGIR (0.68) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL29019408 0.86 PTGIR (0.68) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL6517831 0.84 PTGIR (0.76) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL6517835 0.84 PTGIR (0.76) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL16612446 0.82 CHRM3 (0.67) PTGIRPTGDRCHRM3PTGER4PTGER3
SCHEMBL6518937 0.82 CHRM3 (0.67) PTGIRPTGDRCHRM3PTGER4PTGER3
SCHEMBL29019399 0.81 PTGIR (0.60) PTGIRPTGDRCHRM3PTGER4PTGER3
SCHEMBL29019385 0.81 PTGIR (0.58) PTGIRPTGDRCHRM3MGLL
SCHEMBL29019381 0.80 PTGIR (0.71) PTGIRPTGDRCHRM3

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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