SCHEMBL7014074

SCHEMBL7014074

COc1cc(CCNc2nc(C)cc(N[C@@H](C)c3ccccc3)n2)cc(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 17/20 0.54
MAPT P10636 1/20 0.47
SLC2A1 P11166 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43

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
SCHEMBL4375545 0.92 HTR7 (0.54) HTR7MAPTSLC2A1NPSR1L3MBTL1
SCHEMBL4375523 0.92 HTR7 (0.56) HTR7MAPTSLC2A1NPSR1L3MBTL1
SCHEMBL7006351 0.84 HTR7 (0.61) HTR7MAPTNPSR1ADRA1DADRA1A
SCHEMBL7013657 0.83 HTR7 (0.48) HTR7MAPTSLC2A1NPSR1L3MBTL1
SCHEMBL4381740 0.83 HTR7 (0.49) HTR7MAPT
SCHEMBL4375683 0.81 HTR7 (0.56) HTR7MAPTSLC2A1NPSR1
SCHEMBL4376845 0.77 HTR7 (0.76) HTR7SLC2A1ADRA1DADRA1AADRA1B
SCHEMBL4374516 0.76 HTR7 (0.51) HTR7MAPTSLC2A1NPSR1L3MBTL1
SCHEMBL4375490 0.74 HTR7 (0.69) HTR7MAPTADRA1DADRA1AADRA1B
SCHEMBL13329874 0.72 LMNA (0.66) HTR7MAPTSLC2A1NPSR1L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280781-A4 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2003-08-06 EP claimed
EP-1280781-A1 5-HT 7 RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2003-02-05 EP claimed
WO-2001085701-A1 5-HT7 RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-15 WO claimed