SCHEMBL22340393

SCHEMBL22340393

Cc1nncc(-c2cc[n+](CCCC(=O)O)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 1/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ GABRA4 P48169 1/20 0.33
▸ GABRE P78334 1/20 0.33
▸ GABRA6 Q16445 1/20 0.33
▸ GABRG1 Q8N1C3 1/20 0.33
▸ GABRG3 Q99928 1/20 0.33
▸ GABRQ Q9UN88 1/20 0.33

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
SCHEMBL22340392 0.92 KDM4E (0.35) —
Hydrochloric Acid SCHEMBL22322837 0.91 KDM4E (0.35) —
SCHEMBL22340811 0.85 NPC1 (0.32) —
Hydrochloric Acid SCHEMBL22322860 0.84 ACHE (0.32) —
SCHEMBL22322834 0.83 CYP11B2 (0.32) —
SCHEMBL22340380 0.82 LTB4R (0.34) LTB4RGABRA1GABRG2GABRB3GABRA5
SCHEMBL22322859 0.78 ALDH1A1 (0.31) —
SCHEMBL22340644 0.78 PABPC1 (0.43) —
SCHEMBL22340705 0.76 ALDH1A1 (0.38) LTB4RGABRA1GABRG2GABRB3GABRA5
SCHEMBL22340379 0.75 ALDH1A1 (0.51) —

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-2020161162-A1 HERBICIDAL PYRIDINIUM COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-08-13 — — WO disclosed
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