SCHEMBL290369

SCHEMBL290369

CC(C)(C)OC(=O)NC1(C(=O)NC(C=O)C(N)c2ccc(I)cc2)CCOCC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.32
RET P07949 1/20 0.31
AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL290587 0.85 TACR2 (0.32)
SCHEMBL2893107 0.77 TACR2 (0.40)
SCHEMBL2893105 0.77 TACR2 (0.40)
SCHEMBL290368 0.75 GHSR (0.35) GHSRRET
SCHEMBL2890519 0.74 CTSC (0.48) RET
SCHEMBL2890517 0.74 CTSC (0.48) RET
SCHEMBL27077969 0.71 BDKRB1 (0.40)
SCHEMBL27077971 0.71 BDKRB1 (0.40)
SCHEMBL28776778 0.69 GHSR (0.35) GHSRRET
SCHEMBL16512497 0.68 FAAH (0.51) GHSR

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-2427445-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 AstraZeneca AB (SE) 2012-03-14 EP disclosed
WO-2010128324-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 ASTRAZENECA AB (SE) 2010-11-11 WO disclosed