SCHEMBL23655443

SCHEMBL23655443

CC(F)Oc1ccc(N(C2=CCCC=C2)c2cncc(N3CCC(COCC(=O)O)CC3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 19/20 0.35
▸ PTGDR Q13258 3/20 0.33
▸ ITGB3 P05106 1/20 0.32
▸ ITGA2B P08514 1/20 0.32

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
SCHEMBL21258991 0.81 PTGIR (0.43) PTGIRPTGDR
SCHEMBL21258944 0.77 PTGIR (0.55) PTGIRPTGDR
SCHEMBL23655918 0.77 — —
SCHEMBL21258682 0.76 PTGIR (0.51) PTGIRPTGDR
SCHEMBL21258950 0.75 PTGIR (0.44) PTGIRPTGDR
SCHEMBL21258974 0.75 PTGIR (0.53) PTGIRPTGDR
SCHEMBL21258651 0.75 PTGIR (0.53) PTGIRPTGDR
SCHEMBL21258855 0.75 PTGIR (0.49) PTGIRPTGDR
SCHEMBL23655437 0.74 PTGIR (0.32) PTGIR
SCHEMBL22781880 0.74 PTGIR (0.46) PTGIRPTGDR

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-3851106-A1 MEDICAL USE OF PROSTACYCLIN RECEPTOR AGONIST Chinese PLA General Hospital (CN) 2021-07-21 — — EP disclosed
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