SCHEMBL4598038

SCHEMBL4598038

CO[C@@H](C)CN1C[C@@H](c2ccccc2)N(C2CCN(C(=O)OC(C)(C)C)CC2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 6/20 0.45
GPR119 Q8TDV5 4/20 0.44
KDM4E B2RXH2 2/20 0.42
PKM P14618 1/20 0.42
TP53 P04637 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
STS P08842 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
USP30 Q70CQ3 1/20 0.40
CTSD P07339 1/20 0.39
CTSE P14091 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL4623933 1.00 CCR5 (0.45) CCR5GPR119KDM4EPKMTP53
SCHEMBL5576730 0.82 GPR119 (0.45) CCR5GPR119KDM4EPKMTP53
SCHEMBL5576732 0.82 GPR119 (0.45) CCR5GPR119KDM4EPKMTP53
SCHEMBL5575457 0.82 GPR119 (0.45) CCR5GPR119KDM4EPKMTP53
SCHEMBL5575448 0.82 GPR119 (0.45) CCR5GPR119KDM4EPKMTP53
SCHEMBL5576650 0.81 CCR5 (0.52) CCR5GPR119KDM4EPKMTP53
SCHEMBL4597618 0.81 CCR5 (0.57) CCR5GPR119KDM4EPKMUSP30
SCHEMBL4597329 0.81 CCR5 (0.52) CCR5GPR119KDM4EPKMTP53
SCHEMBL5576348 0.81 CCR5 (0.57) CCR5GPR119KDM4EPKMUSP30
SCHEMBL5576545 0.81 GPR119 (0.47) CCR5GPR119KDM4EPKMJAK2

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-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed