SCHEMBL7009364

SCHEMBL7009364

Cc1ccc(CCc2c(C)nc(N[C@@H](C)c3ccccc3)nc2N)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 9/20 0.49
SMN1; SMN2 Q16637 1/20 0.43
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
HTR2C P28335 1/20 0.41
HTR6 P50406 1/20 0.41
APP P05067 1/20 0.41
TPH1 P17752 1/20 0.40
KCNH3 Q9ULD8 1/20 0.38
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
NUDT1 P36639 1/20 0.37

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
SCHEMBL7018081 0.89 ALDH1A1 (0.46) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL7007978 0.83 HTR7 (0.45) HTR7ADRA1DADRA1AADRA1BAPP
SCHEMBL7007986 0.83 HTR7 (0.43) HTR7ADRA1DADRA1AADRA1B
SCHEMBL7007980 0.83 HTR7 (0.45) HTR7ADRA1DADRA1AADRA1BAPP
SCHEMBL7014065 0.83 HTR7 (0.47) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL7014716 0.81 ALDH1A1 (0.41) HTR7ADRA1DADRA1AADRA1B
SCHEMBL4375604 0.81 TLR8 (0.53) HTR7SMN1; SMN2ADRA1DADRA1AADRA1B
SCHEMBL7006322 0.81 MAPK14 (0.44) HTR7ADRA1DADRA1AADRA1B
SCHEMBL7006329 0.78 F7 (0.44) HTR7TPH1
SCHEMBL4373125 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 disclosed
EP-1280781-A1 5-HT 7 RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2003-02-05 EP disclosed
WO-2001085701-A1 5-HT7 RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-15 WO disclosed