SCHEMBL29019385

SCHEMBL29019385

O=C(O)COCC1CCC(COC(=O)Nc2ccc(-c3cccc(Cl)c3)c(F)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 12/20 0.58
▸ CHRM3 P20309 7/20 0.52
▸ CHRM2 P08172 2/20 0.52
▸ CHRM1 P11229 2/20 0.52
▸ PTGDR Q13258 3/20 0.50
▸ MGLL Q99685 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
SCHEMBL29019374 0.90 PTGIR (0.56) PTGIRCHRM3CHRM2CHRM1PTGDR
SCHEMBL29019384 0.90 PTGIR (0.58) PTGIRCHRM3CHRM2CHRM1PTGDR
SCHEMBL29019383 0.89 PTGIR (0.59) PTGIRCHRM3CHRM2CHRM1PTGDR
SCHEMBL29019391 0.88 PTGIR (0.56) PTGIRCHRM3CHRM2CHRM1PTGDR
SCHEMBL29019403 0.86 PTGIR (0.68) PTGIRCHRM3CHRM2CHRM1PTGDR
SCHEMBL29019399 0.85 PTGIR (0.60) PTGIRCHRM3PTGDRMGLL
SCHEMBL29019382 0.84 PTGIR (0.56) PTGIRCHRM3PTGDRMGLL
SCHEMBL29019405 0.84 PTGIR (0.58) PTGIRCHRM3PTGDRMGLL
SCHEMBL6519201 0.83 CHRM3 (0.67) PTGIRCHRM3CHRM2CHRM1PTGDR
SCHEMBL29019394 0.81 PTGIR (0.57) PTGIRCHRM3PTGDRMGLL

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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