SCHEMBL7006872

SCHEMBL7006872

CC(Nc1ccnc(NCCc2cccc(O)c2)n1)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 16/20 0.81
ADRA1D P25100 2/20 0.56
ADRA1A P35348 2/20 0.56
ADRA1B P35368 2/20 0.56
CDC7 O00311 1/20 0.48
MAP4K4 O95819 1/20 0.48
PIM1 P11309 1/20 0.48
GSK3B P49841 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
HTR2C P28335 1/20 0.46
ESR2 Q92731 1/20 0.44
MYLK Q15746 1/20 0.43
PLK1 P53350 1/20 0.42

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
SCHEMBL7005317 0.90 HTR7 (1.00) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL4376845 0.86 HTR7 (0.76) HTR7ADRA1DADRA1AADRA1BCLK4
SCHEMBL4382987 0.83 HTR7 (0.83) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL4380313 0.80 HTR7 (0.76) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL4382777 0.79 HTR7 (0.70) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL4540550 0.78 HTR7 (0.73) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL7013758 0.77 HTR7 (0.71) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL7006812 0.76 HTR7 (1.00) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL7011314 0.76 HTR7 (1.00) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL7009556 0.76 HTR7 (0.74) HTR7ADRA1DADRA1AADRA1BHTR2C

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