SCHEMBL6949865

SCHEMBL6949865

Cc1ccc(NC(=O)c2cc(C)ccc2NC(=O)c2cnc(N3CCCCNC3)cn2)nc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.47
KCNH2 Q12809 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC2 Q92769 2/20 0.41

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
SCHEMBL5239546 0.90 F10 (0.51) F10HDAC3HDAC2
SCHEMBL7073397 0.86 F10 (0.43) F10KCNH2
SCHEMBL14394839 0.85 F10 (0.58) F10KCNH2HDAC3HDAC2
SCHEMBL5205288 0.85 F10 (0.58) F10KCNH2HDAC3HDAC2
SCHEMBL5204047 0.84 F10 (0.56) F10HDAC3HDAC2
SCHEMBL5207993 0.84 HDAC3 (0.54) F10KCNH2HDAC3HDAC2
SCHEMBL6947943 0.83 F10 (0.53) F10KCNH2
Hydrochloric Acid SCHEMBL6584072 0.83 F10 (0.57) F10
SCHEMBL4850116 0.82 F10 (0.56) F10HDAC3HDAC2
SCHEMBL5201432 0.81 F10 (0.55) F10KCNH2HDAC3HDAC2

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-1307444-A2 SUBSTITUTED HETEROCYCLIC AMIDES ELI LILLY AND COMPANY (US) 2003-05-07 EP disclosed
WO-2002010154-A2 SUBSTITUTED HETEROCYCLIC AMIDES ELI LILLY AND COMPANY (US) 2002-02-07 WO disclosed