SCHEMBL4376845

SCHEMBL4376845

COc1cccc(CCNc2nccc(NC(C)c3ccccc3)n2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 16/20 0.76
ADRA1D P25100 2/20 0.58
ADRA1A P35348 2/20 0.58
ADRA1B P35368 2/20 0.58
HTR2C P28335 1/20 0.48
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
PLK1 P53350 1/20 0.45
CASR P41180 1/20 0.44

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 0.87 HTR7 (1.00) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL7006872 0.86 HTR7 (0.81) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL4375545 0.86 HTR7 (0.54) HTR7ALDH1A1LMNATP53TSHR
SCHEMBL4382987 0.81 HTR7 (0.83) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL4375490 0.80 HTR7 (0.69) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL7006812 0.80 HTR7 (1.00) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL7011314 0.80 HTR7 (1.00) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL4380313 0.77 HTR7 (0.76) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL7014074 0.77 HTR7 (0.54) HTR7ADRA1DADRA1AADRA1BSLC2A1
SCHEMBL4540550 0.75 HTR7 (0.73) 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 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 claimed