SCHEMBL4597404

SCHEMBL4597404

O=C1NCCN1C1(c2cccc(Cl)c2)CCOCC1C1CCN(Cc2ccc(Oc3ccccc3)nc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.45
EGLN1 Q9GZT9 1/20 0.37
CNR2 P34972 1/20 0.36
GALR3 O60755 1/20 0.36
RAB9A P51151 1/20 0.36
CXCR3 P49682 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35
NOTUM Q6P988 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
PRKAA2 P54646 1/20 0.34
DDB1 Q16531 2/20 0.34
CRBN Q96SW2 2/20 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
SCHEMBL4596620 0.84 NPSR1 (0.38) CXCR3CHRM2CHRM3
SCHEMBL4597890 0.80 CXCR3 (0.39) CXCR3CHRM2CHRM3
SCHEMBL4596509 0.78 CYP2C19 (0.34) CNR2CXCR3
SCHEMBL4597761 0.76 KCNJ1 (0.44) CHRM2CHRM3
SCHEMBL4597403 0.76 CCR5 (0.52) CCR5EGLN1CNR2CXCR3CHRM2
SCHEMBL5576322 0.68 CCR5 (0.87) CCR5
SCHEMBL4597703 0.65 CCR5 (0.74) CCR5
SCHEMBL5572337 0.64 CCR5 (0.92) CCR5
SCHEMBL4597841 0.63 CCR5 (0.80) CCR5
SCHEMBL5576372 0.63 CCR5 (0.80) 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-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