SCHEMBL4610190

SCHEMBL4610190

O=C1CCCC(=O)N1CCCc1ccc(-c2ccccc2F)nc1.O=C1CCCCCN1CCCc1ccc(-c2ccccc2F)nc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 1/20 0.41
PDK2 Q15119 3/20 0.39
CYP11B1 P15538 4/20 0.39
CYP11B2 P19099 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.38
GRM2 Q14416 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
ACHE P22303 1/20 0.37
MALT1 Q9UDY8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4590706 0.95 IL4I1 (0.45) IL4I1PDK2CYP11B1CYP11B2L3MBTL1
SCHEMBL4590985 0.94 IL4I1 (0.45) IL4I1PDK2CYP11B1CYP11B2L3MBTL1
SCHEMBL4590806 0.92 IL4I1 (0.45) IL4I1PDK2CYP11B1CYP11B2KMT2A
SCHEMBL4591025 0.92 IL4I1 (0.47) IL4I1CYP11B1CYP11B2KMT2AGRM2
SCHEMBL4589984 0.88 CYP11B1 (0.45) IL4I1PDK2CYP11B1CYP11B2KMT2A
SCHEMBL4590661 0.88 CYP11B1 (0.46) IL4I1CYP11B1CYP11B2L3MBTL1GRM2
SCHEMBL13940224 0.81 IL4I1 (0.53) IL4I1CYP11B1CYP11B2L3MBTL1GRM2
SCHEMBL4590656 0.79 IL4I1 (0.41) IL4I1CYP11B1CYP11B2GRM2SMN1; SMN2
SCHEMBL13939911 0.79 IL4I1 (0.55) IL4I1CYP11B1CYP11B2KMT2AGRM2
SCHEMBL4589224 0.78 ADRA2A (0.46) CYP11B1CYP11B2L3MBTL1GRM2KDM4E

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-1899321-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-03-19 EP claimed
WO-2007000246-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-01-04 WO claimed