SCHEMBL4382987

SCHEMBL4382987

CC(Nc1ccnc(NCCc2cccnc2)n1)c1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 13/20 0.83
ADRA1D P25100 2/20 0.57
ADRA1A P35348 2/20 0.57
ADRA1B P35368 2/20 0.57
OGA O60502 1/20 0.50
MKNK1 Q9BUB5 2/20 0.49
MKNK2 Q9HBH9 2/20 0.49
HTR2C P28335 1/20 0.47
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPK10 P53779 1/20 0.46
JAK2 O60674 2/20 0.45
JAK3 P52333 2/20 0.45

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 0.91 HTR7 (1.00) HTR7ADRA1DADRA1AADRA1BOGA
SCHEMBL7006872 0.83 HTR7 (0.81) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL4376845 0.81 HTR7 (0.76) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL4380313 0.81 HTR7 (0.76) HTR7ADRA1DADRA1AADRA1BOGA
SCHEMBL4540550 0.79 HTR7 (0.73) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL4379572 0.77 HTR7 (0.74) HTR7ADRA1DADRA1AADRA1BOGA
SCHEMBL7009556 0.77 HTR7 (0.74) HTR7ADRA1DADRA1AADRA1BOGA
SCHEMBL7006812 0.77 HTR7 (1.00) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL7011314 0.77 HTR7 (1.00) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL4377313 0.76 HTR7 (0.47) HTR7OGAMKNK1MKNK2MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280781-B1 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2009-11-18 EP disclosed