SCHEMBL16998461

SCHEMBL16998461

CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 19/20 0.63
▸ TPSAB1 Q15661 1/20 0.61
▸ TPSD1 Q9BZJ3 1/20 0.61
▸ TPSG1 Q9NRR2 1/20 0.61

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
SCHEMBL16998459 0.89 F11 (0.61) F11TPSAB1TPSD1TPSG1
SCHEMBL16997636 0.87 F11 (0.68) F11TPSAB1TPSD1TPSG1
SCHEMBL16998458 0.82 F11 (0.73) F11TPSAB1TPSD1TPSG1
SCHEMBL4751699 0.82 F11 (0.62) F11TPSAB1TPSD1TPSG1
SCHEMBL13302756 0.82 F11 (0.62) F11TPSAB1TPSD1TPSG1
SCHEMBL16997904 0.81 F11 (0.61) F11TPSAB1TPSD1TPSG1
SCHEMBL27045904 0.81 F11 (0.61) F11TPSAB1TPSD1TPSG1
SCHEMBL20901354 0.81 F11 (0.61) F11TPSAB1TPSD1TPSG1
SCHEMBL16997602 0.81 F11 (0.68) F11TPSAB1TPSD1TPSG1
SCHEMBL16989245 0.80 F11 (0.70) F11TPSAB1TPSD1TPSG1

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
WO-2015120062-A2 THERAPEUTIC COMPOUNDS AND COMPOSITIONS eXIthera Pharmaceuticals Inc. (US) 2015-08-13 — — WO disclosed
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