SCHEMBL5771872

SCHEMBL5771872

CCCNCCOc1cccc2c3ccccc3n(C)c12

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 4/20 0.60
ALKBH5 Q6P6C2 1/20 0.44
FTO Q9C0B1 1/20 0.44
HTR1D P28221 2/20 0.44
ADRB2 P07550 2/20 0.42
HTR1A P08908 4/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
HTR6 P50406 1/20 0.40
SLC6A4 P31645 3/20 0.40
HEXA P06865 1/20 0.40
HEXB P07686 1/20 0.40
HRH1 P35367 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL5747639 0.92 HTR1B (0.61) HTR1BALKBH5FTOHTR1DADRB2
SCHEMBL5747747 0.88 HTR1B (0.56) HTR1BALKBH5FTOHTR1DADRB2
SCHEMBL5749824 0.85 HTR1B (0.57) HTR1BALKBH5FTOHTR1DHTR6
SCHEMBL5770352 0.84 HRH1 (0.58) HTR1BALKBH5FTOHTR1DHTR6
SCHEMBL15466278 0.80 ALKBH5 (0.54) ALKBH5FTOKMT2A
SCHEMBL5748798 0.79 HTR1B (0.53) HTR1BALKBH5FTOHTR6KMT2A
SCHEMBL5747008 0.79 HTR1B (0.56) HTR1BHTR1DADRB2HTR1AADRA1D
SCHEMBL5747516 0.78 HTR1B (0.54) HTR1BALKBH5FTOKMT2A
SCHEMBL5748021 0.77 HTR1B (0.50) HTR1BALKBH5FTOHTR1DSLC6A4
SCHEMBL8761450 0.76 HTR1B (1.00) HTR1BHTR1DHTR1ASLC6A4HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1711463-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2006-10-18 EP disclosed
WO-2005077899-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-08-25 WO disclosed