SCHEMBL4596616

SCHEMBL4596616

O=C1NC[C@](c2ccccc2)(C2CCOCC2)N1C1CCN(Cc2ccc(Cl)nc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 8/20 0.41
CHRM2 P08172 7/20 0.41
KMT2A Q03164 2/20 0.39
CXCR3 P49682 3/20 0.39
CCR5 P51681 1/20 0.38
MEN1 O00255 1/20 0.37
ATM Q13315 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
SCHEMBL4597887 0.86 CHRM3 (0.42) CHRM3CHRM2CXCR3
SCHEMBL4597759 0.84 KCNJ1 (0.51)
SCHEMBL4597403 0.83 CCR5 (0.52) CHRM3CHRM2CXCR3CCR5
SCHEMBL4596041 0.74 KDM4E (0.32) CHRM3KMT2AMEN1
SCHEMBL4596620 0.71 NPSR1 (0.38) CHRM3CHRM2KMT2ACXCR3MEN1
SCHEMBL392531 0.70 HRH3 (0.61) KMT2AMEN1ATM
SCHEMBL5576660 0.70 CCR5 (0.68) CHRM3CHRM2CCR5
SCHEMBL5576658 0.70 CCR5 (0.68) CHRM3CHRM2CCR5
SCHEMBL4597256 0.68 DRD2 (0.34) KMT2ACXCR3MEN1
SCHEMBL5181129 0.67 CXCR3 (0.48) CHRM3CHRM2CXCR3

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