SCHEMBL4416899

SCHEMBL4416899

c1ccc(Cn2nc(-c3ccccc3)c3c2CCCNC3)cc1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.74
HTR1A P08908 1/20 0.61
HTR2A P28223 1/20 0.61
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CTSS P25774 1/20 0.49
KCNK3 O14649 1/20 0.47

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
SCHEMBL2074154 0.93 HTR7 (0.87) HTR7HTR1AHTR2AMEN1KMT2A
SCHEMBL10804601 0.92 HTR7 (0.86) HTR7HTR1AHTR2AMEN1KMT2A
SCHEMBL2076759 0.86 HTR7 (0.76) HTR7HTR1AHTR2A
SCHEMBL28243922 0.85 HTR7 (0.67) HTR7HTR1AHTR2AMEN1KMT2A
SCHEMBL10801116 0.84 HTR7 (0.80) HTR7HTR1AHTR2AKCNK3
SCHEMBL10803888 0.84 HTR7 (0.80) HTR7HTR1AHTR2A
SCHEMBL2075429 0.83 HTR7 (0.85) HTR7HTR1AHTR2AMEN1KMT2A
SCHEMBL2073608 0.81 HTR7 (0.69) HTR7HTR1AHTR2A
SCHEMBL10806267 0.81 HTR7 (0.76) HTR7HTR1AHTR2A
SCHEMBL2076086 0.81 HTR7 (0.69) HTR7HTR1AHTR2AMEN1KMT2A

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-1668014-B1 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-01-14 EP claimed