SCHEMBL7013758

SCHEMBL7013758

C[C@H](Nc1ccnc(NCCc2ccccc2)n1)c1cccc2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.71
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
MYLK Q15746 1/20 0.46
EPHX2 P34913 2/20 0.46
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
SLC6A2 P23975 1/20 0.45
HRH2 P25021 1/20 0.45
HTR1D P28221 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
HTR5A P47898 1/20 0.45
HTR6 P50406 1/20 0.45
SLC6A3 Q01959 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
HRH4 Q9H3N8 1/20 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
SCHEMBL7011595 0.85 HTR7 (0.72) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL7005317 0.83 HTR7 (1.00) HTR7ADRA1DADRA1AADRA1BMYLK
SCHEMBL4373003 0.79 HTR7 (0.64) HTR7ADRA1DADRA1AADRA1BEPHX2
SCHEMBL7006872 0.77 HTR7 (0.81) HTR7ADRA1DADRA1AADRA1BMYLK
SCHEMBL4382987 0.76 HTR7 (0.83) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL4376845 0.74 HTR7 (0.76) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL7009556 0.74 HTR7 (0.74) HTR7ADRA1DADRA1AADRA1BMYLK
SCHEMBL4379572 0.74 HTR7 (0.74) HTR7ADRA1DADRA1AADRA1BMYLK
SCHEMBL4376850 0.74 APP (0.52) HTR7EPHX2APPBCHEACHE
SCHEMBL13384589 0.72 HTR7 (0.62) HTR7MYLKADRA2BADRA2CSLC6A2

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 6 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
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