SCHEMBL16998459

SCHEMBL16998459

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 18/20 0.61
▸ TPSAB1 Q15661 1/20 0.59
▸ TPSD1 Q9BZJ3 1/20 0.59
▸ TPSG1 Q9NRR2 1/20 0.59
▸ GABRP O00591 1/20 0.47
▸ GABRD O14764 1/20 0.47
▸ GABRA1 P14867 1/20 0.47
▸ GABRB1 P18505 1/20 0.47
▸ GABRG2 P18507 1/20 0.47
▸ GABRB3 P28472 1/20 0.47
▸ GABRA5 P31644 1/20 0.47
▸ GABRA3 P34903 1/20 0.47
▸ GABRA2 P47869 1/20 0.47
▸ GABRB2 P47870 1/20 0.47
▸ GABRA4 P48169 1/20 0.47
▸ GABRE P78334 1/20 0.47
▸ GABRA6 Q16445 1/20 0.47
▸ GABRG1 Q8N1C3 1/20 0.47
▸ GABRG3 Q99928 1/20 0.47
▸ GABRQ Q9UN88 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
SCHEMBL16998461 0.89 F11 (0.63) F11TPSAB1TPSD1TPSG1
SCHEMBL16997636 0.86 F11 (0.68) F11TPSAB1TPSD1TPSG1
SCHEMBL4751699 0.83 F11 (0.62) F11TPSAB1TPSD1TPSG1
SCHEMBL13302756 0.83 F11 (0.62) F11TPSAB1TPSD1TPSG1
SCHEMBL27046701 0.83 ELANE (0.44) F11TPSAB1TPSD1TPSG1
SCHEMBL20318762 0.83 F11 (0.57) F11
SCHEMBL16997904 0.82 F11 (0.61) F11TPSAB1TPSD1TPSG1
SCHEMBL20901354 0.82 F11 (0.61) F11TPSAB1TPSD1TPSG1
SCHEMBL27045904 0.82 F11 (0.61) F11TPSAB1TPSD1TPSG1
SCHEMBL27045926 0.81 F11 (0.48) F11TPSAB1TPSD1TPSG1GABRP

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
Send feedback