SCHEMBL5205387

SCHEMBL5205387

CC(C)(C)OC(=O)N1CCCN(c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)nc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.62
KCNH2 Q12809 2/20 0.52
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL5201605 0.95 F10 (0.55) F10KCNH2MEN1MAPTTSHR
SCHEMBL5208090 0.95 F10 (0.55) F10KCNH2MEN1MAPTTSHR
SCHEMBL5208578 0.94 F10 (0.54) F10KCNH2MEN1MAPTTSHR
SCHEMBL5394554 0.92 F10 (0.73) F10KCNH2
SCHEMBL5205339 0.90 F10 (0.55) F10KCNH2
SCHEMBL5204938 0.89 F10 (0.54) F10KCNH2
SCHEMBL5369020 0.89 MAPT (0.51) F10MEN1MAPTTSHRKMT2A
SCHEMBL5204970 0.88 MAPT (0.48) F10MEN1MAPTTSHRKMT2A
SCHEMBL4858776 0.86 F10 (0.51) F10KCNH2MEN1MAPTTSHR
SCHEMBL5392795 0.86 F10 (0.65) F10KCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307444-B1 SUBSTITUTED HETEROCYCLIC AMIDES LILLY CO ELI (US) 2007-10-03 EP disclosed
US-7160878-B2 Substituted heterocyclic amides ELI LILLY AND COMPANY (US) 2007-01-09 US disclosed
US-7160878-B2 Substituted heterocyclic amides ELI LILLY AND COMPANY (US) 2007-01-09 US disclosed
US-7160878-B2 Substituted heterocyclic amides ELI LILLY AND COMPANY (US) 2007-01-09 US disclosed