SCHEMBL1025501

SCHEMBL1025501

CNNC(=O)c1ccc(C)c(NCC(=O)N(CCN(C(=O)OC(C)(C)C)C(C)C)CC(=O)N(C)N2Cc3ccccc3C2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 7/20 0.42
AHCY P23526 1/20 0.35
NAMPT P43490 3/20 0.33
PTPRC P08575 2/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
HDAC1 Q13547 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC2 Q92769 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
LMNA P02545 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
METAP2 P50579 1/20 0.30

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
SCHEMBL1026887 0.95 ACKR3 (0.42) ACKR3AHCYNAMPTPTPRCPRMT5
SCHEMBL1027342 0.93 ACKR3 (0.43) ACKR3AHCYNAMPTHDAC1HDAC3
SCHEMBL1029738 0.91 AHCY (0.36) ACKR3AHCYNAMPTHDAC1HDAC3
SCHEMBL1027669 0.90 ACKR3 (0.46) ACKR3AHCYNAMPTLMNAKDM4E
SCHEMBL1026070 0.88 ACKR3 (0.42) ACKR3AHCYNAMPTHDAC1HDAC3
SCHEMBL1025935 0.88 ACKR3 (0.48) ACKR3AHCYMETAP2
SCHEMBL1027778 0.87 ACKR3 (0.43) ACKR3AHCYHDAC1METAP2
SCHEMBL1027490 0.86 ACKR3 (0.43) ACKR3AHCYMETAP2
SCHEMBL1026545 0.86 AHCY (0.36) ACKR3AHCYNAMPTHDAC1HDAC3
SCHEMBL1029781 0.85 ACKR3 (0.44) ACKR3AHCYNAMPTHDAC1HDAC2

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-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP disclosed