SCHEMBL4552609

SCHEMBL4552609

CC(C)(C)OC(=O)N1CCC(C)(N2CCC(N3C(=O)NC[C@H]3c3ccccc3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 15/20 0.45
GPR119 Q8TDV5 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
PRKCG P05129 1/20 0.41
PRKCB P05771 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCH P24723 1/20 0.41
PRKCE Q02156 1/20 0.41
PRKCD Q05655 1/20 0.41

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
SCHEMBL4597324 0.89 GPR119 (0.51) GPR119PRKCGPRKCBPRKCAPRKCH
SCHEMBL4724963 0.89 GPR119 (0.51) GPR119PRKCGPRKCBPRKCAPRKCH
SCHEMBL13946626 0.87 GPR119 (0.44) CCR5GPR119OPRD1OPRK1PRKCG
SCHEMBL4552094 0.87 CCR5 (0.49) CCR5
SCHEMBL4552736 0.81 CCR5 (0.69) CCR5
SCHEMBL4206068 0.81 CCR5 (0.59) CCR5
SCHEMBL4208132 0.80 CCR5 (0.69) CCR5
SCHEMBL3409468 0.80 EPHX1 (0.36) CCR5GPR119PRKCGPRKCBPRKCA
SCHEMBL4552252 0.79 CCR5 (0.71) CCR5
SCHEMBL5576017 0.79 GPR119 (0.53) 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-2088860-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2009-08-19 EP disclosed
WO-2008070758-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2008-06-12 WO disclosed