SCHEMBL4697644

SCHEMBL4697644

N=C(N)NCCCC1C(=O)N(C(=O)NCCc2cccc3ccccc23)C1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 10/20 0.50
TPSD1 Q9BZJ3 9/20 0.50
TPSG1 Q9NRR2 9/20 0.50
MTNR1A P48039 2/20 0.48
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
OXTR P30559 1/20 0.36

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
SCHEMBL4697345 0.86 TPSAB1 (0.58) TPSAB1TPSD1TPSG1
SCHEMBL4697341 0.86 TPSAB1 (0.58) TPSAB1TPSD1TPSG1
SCHEMBL3336730 0.81 EPHX2 (0.47) TPSAB1TPSD1TPSG1
SCHEMBL3330725 0.81 EPHX2 (0.47) TPSAB1TPSD1TPSG1
SCHEMBL3332397 0.80 TPSAB1 (0.68) TPSAB1TPSD1TPSG1
SCHEMBL3335469 0.80 TPSAB1 (0.68) TPSAB1TPSD1TPSG1
SCHEMBL3338948 0.77 TPSAB1 (0.46) TPSAB1TPSD1TPSG1
SCHEMBL3336687 0.76 TPSAB1 (0.48) TPSAB1TPSD1TPSG1
SCHEMBL3333854 0.76 TPSAB1 (0.48) TPSAB1TPSD1TPSG1
SCHEMBL3333866 0.74 TPSAB1 (0.56) TPSAB1TPSD1TPSG1

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