SCHEMBL13984656

SCHEMBL13984656

CC(CN(O)C=O)Nc1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 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
SCHEMBL13267170 0.91 HRH3 (0.50) —
SCHEMBL13984527 0.79 ACHE (0.50) ACHE
SCHEMBL3012858 0.77 — —
SCHEMBL3015924 0.76 KMT2A (0.57) —
SCHEMBL19534355 0.71 HRH3 (0.54) —
SCHEMBL3022978 0.70 MMP2 (0.52) —
SCHEMBL13244730 0.70 LMNA (0.51) —
SCHEMBL18023372 0.70 KMT2A (0.41) —
SCHEMBL13244556 0.70 HRH3 (0.56) —
SCHEMBL3014437 0.69 SMN1; SMN2 (0.53) —

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-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 — — EP disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 — — WO disclosed
Send feedback