SCHEMBL6526899

SCHEMBL6526899

CC(C)(C)OC(=O)C1CC(CCS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CCN1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 19/20 0.41
ARG1 P05089 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
SCHEMBL6011372 0.75 CHRM1 (0.44)
SCHEMBL21358061 0.74 ARG1 (0.63) ARG1
SCHEMBL6011356 0.74 GPR119 (0.71) GPR119
Hydrochloric Acid SCHEMBL6011621 0.74 CHRM1 (0.43)
SCHEMBL28649179 0.73 ARG1 (0.36) ARG1
SCHEMBL27682940 0.72 NR1H2 (0.41) ARG1
SCHEMBL27451986 0.71 GRIN2D (0.38) ARG1
SCHEMBL28657453 0.71 ARG1 (0.39) ARG1
Acetic Acid SCHEMBL27641013 0.71 ARG1 (0.42) ARG1
Iodide SCHEMBL7502317 0.69 ARG1 (0.34) ARG1

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