SCHEMBL4596620

SCHEMBL4596620

O=C1NCCN1C1(c2ccccc2)CCOCC1C1CCN(Cc2ccc(Cl)nc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 2/20 0.37
CXCR3 P49682 4/20 0.37
MEN1 O00255 1/20 0.35
ATM Q13315 1/20 0.35
CHRM2 P08172 3/20 0.35
CHRM3 P20309 3/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL4597890 0.87 CXCR3 (0.39) CXCR3CHRM2CHRM3
SCHEMBL4597761 0.84 KCNJ1 (0.44) CHRM2CHRM3ALDH1A1SMN1; SMN2
SCHEMBL4596616 0.71 CHRM3 (0.41) KMT2ACXCR3MEN1ATMCHRM2
SCHEMBL392531 0.66 HRH3 (0.61) KMT2AMEN1ATMSMN1; SMN2
SCHEMBL31093335 0.64 KMT2A (0.59) KMT2AMEN1ATMALDH1A1
SCHEMBL7849301 0.64 OPRL1 (0.75) CHRM2
SCHEMBL21382443 0.63 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2
SCHEMBL5576658 0.62 CCR5 (0.68) CHRM2CHRM3
SCHEMBL5576660 0.62 CCR5 (0.68) CHRM2CHRM3
SCHEMBL1977991 0.62 KMT2A (0.51) NPSR1KMT2AMEN1ATMALDH1A1

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