SCHEMBL4552338

SCHEMBL4552338

CC1(N2CCC(N[C@@H](CN)c3ccccc3)CC2)CCN(C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.47
KCNH2 Q12809 2/20 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
SCHEMBL4552337 0.90 CCR5 (0.48) CCR5KCNH2
SCHEMBL4023399 0.83 CCR5 (0.43) CCR5KCNH2
SCHEMBL13946627 0.73 OPRD1 (0.45) CCR5
SCHEMBL5575342 0.73 ALDH1A1 (0.54)
SCHEMBL13946615 0.72 ATM (0.42) CCR5
SCHEMBL13969503 0.72 KDM4E (0.45) CCR5
SCHEMBL4206072 0.72 ATM (0.42) CCR5KCNH2
SCHEMBL13969523 0.71 CCR5 (0.35) CCR5KCNH2
SCHEMBL13946618 0.71 KDM4E (0.44) CCR5
SCHEMBL28915065 0.70 GAA (0.56)

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