SCHEMBL6466874

SCHEMBL6466874

CC(C)(C)OC(=O)N1CCC(CCS(=O)(=O)c2ccc(OCC#N)cc2)CC1.N#CCOc1ccc(S(=O)(=O)CCC2CCNCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.55
MMP13 P45452 2/20 0.48
ADAM17 P78536 2/20 0.48
MMP1 P03956 1/20 0.48

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
SCHEMBL6011648 0.84 SLC6A4 (0.42) MMP13ADAM17MMP1
Hydrochloric Acid SCHEMBL6011657 0.83 SLC6A4 (0.41) MMP13ADAM17MMP1
SCHEMBL7602931 0.83 GPR119 (0.66) GPR119MMP13
SCHEMBL6011358 0.82 GPR119 (0.43) GPR119MMP13ADAM17MMP1
SCHEMBL6011574 0.78 GPR119 (0.58) GPR119
SCHEMBL6011356 0.78 GPR119 (0.71) GPR119
SCHEMBL28978030 0.78 GPR119 (0.58) GPR119MMP13
SCHEMBL6011384 0.77 GPR119 (0.57) GPR119
SCHEMBL7607099 0.77 GPR119 (0.57) GPR119MMP13
SCHEMBL8444728 0.77 KDM4E (0.58) GPR119

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-1572650-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2005-09-14 EP disclosed
WO-2004056773-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2004-07-08 WO disclosed