SCHEMBL4552097

SCHEMBL4552097

CC1(N2CCC(N3C(=O)OC[C@H]3c3ccccc3)CC2)CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 15/20 0.41
OPRM1 P35372 3/20 0.35
OPRK1 P41145 3/20 0.35
OPRD1 P41143 2/20 0.35
OPRL1 P41146 2/20 0.35
OGFRL1 Q5TC84 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
AVPR1A P37288 1/20 0.34

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
SCHEMBL6498015 0.82 SLC18A3 (0.42) AVPR1A
SCHEMBL3759047 0.82 SLC18A3 (0.42) AVPR1A
SCHEMBL3759045 0.82 SLC18A3 (0.42) AVPR1A
SCHEMBL4551935 0.80 CCR5 (0.56) CCR5
SCHEMBL4552558 0.78 CCR5 (0.47) CCR5
SCHEMBL14184972 0.77 CCR5 (0.70) CCR5
SCHEMBL4551923 0.77 CCR5 (0.65) CCR5
SCHEMBL4209312 0.75 CCR5 (0.56) CCR5
SCHEMBL13969447 0.74 CCR5 (0.68) CCR5
SCHEMBL14184973 0.73 CCR5 (0.72) CCR5

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