SCHEMBL4696421

SCHEMBL4696421

Nc1cc(C[C@H]2C(=O)N(C(=O)NCCc3ccccc3)[C@@H]2CO)ccn1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 15/20 0.45
▸ ELANE P08246 4/20 0.44
▸ TPSAB1 Q15661 1/20 0.42
▸ TPSD1 Q9BZJ3 1/20 0.42
▸ TPSG1 Q9NRR2 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
SCHEMBL4694857 0.88 ELANE (0.45) F11ELANE
Trifluoroacetic Acid SCHEMBL4694716 0.82 F11 (0.54) F11TPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL4694801 0.82 F11 (0.54) F11TPSAB1TPSD1TPSG1
SCHEMBL4694721 0.81 F11 (0.46) F11
SCHEMBL3335950 0.81 F11 (0.55) F11TPSAB1TPSD1TPSG1
SCHEMBL4695810 0.80 F11 (0.55) F11TPSAB1TPSD1TPSG1
SCHEMBL20901354 0.77 F11 (0.61) F11ELANETPSAB1TPSD1TPSG1
SCHEMBL16997904 0.77 F11 (0.61) F11ELANETPSAB1TPSD1TPSG1
SCHEMBL27045904 0.77 F11 (0.61) F11ELANETPSAB1TPSD1TPSG1
SCHEMBL4696954 0.77 F11 (0.41) F11ELANE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871741-A2 SUBSTITUTED AZETIDINONES Daiamed, Inc. (US) 2008-01-02 — — EP disclosed
WO-2006108039-A2 SUBSTITUTED AZETIDINONES DAIAMED, INC. (US) 2006-10-12 — — WO disclosed
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