SCHEMBL6056589

SCHEMBL6056589

CC(C)(C)Oc1ccc(C(F)(F)F)cc1CN(CCO)C(=O)C1CCC(=O)C1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 19/20 0.44
SCN9A Q15858 1/20 0.37

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
SCHEMBL6056615 0.84 PTGDR2 (0.47) PTGDR2
SCHEMBL6056590 0.74 POLB (0.39) PTGDR2SCN9A
SCHEMBL6621807 0.66 TACR1 (0.39)
SCHEMBL150172 0.65 PTGDR2 (0.58) PTGDR2
SCHEMBL6621794 0.65 TACR1 (0.49)
SCHEMBL13746086 0.63 PTGDR2 (0.84) PTGDR2
SCHEMBL5215277 0.63 TACR1 (0.40) PTGDR2
SCHEMBL6620267 0.63 UBE2M (0.36)
SCHEMBL2637443 0.63 IDO1 (0.41) SCN9A
SCHEMBL152025 0.62 PTGDR2 (0.58) PTGDR2

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-1615699-A2 BENZOXAZINYL-AMIDOCYCLOPENTYL-HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTORS Merck & Co., Inc. (US) 2006-01-18 EP disclosed
WO-2004092124-A2 BENZOXAZINYL-AMIDOCYCLOPENTYL-HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTORS MERCK & CO., INC. (US) 2004-10-28 WO disclosed