SCHEMBL27723892

SCHEMBL27723892

Nc1ccc(-c2ncc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 9/20 0.59
NPY5R Q15761 5/20 0.51
HPGDS O60760 3/20 0.47
SCN9A Q15858 1/20 0.46
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 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
SCHEMBL27723676 0.85 SCN2A (0.53) SCN2ANPY5RHPGDSSCN9A
SCHEMBL27703255 0.83 SCN2A (0.54) SCN2ANPY5RHPGDSSCN9ATRPV1
SCHEMBL27723683 0.78 TNKS (0.49) SCN2ASCN9AS1PR1
SCHEMBL28773007 0.77 TNKS (0.51) SCN2ASCN9AS1PR1S1PR3
SCHEMBL6027461 0.77 SCN2A (0.56) SCN2ANPY5RHPGDS
SCHEMBL1926441 0.74 TSHR (0.70) S1PR1S1PR3PDE3BPDE3A
SCHEMBL28540057 0.74 SCN2A (1.00) SCN2ANPY5RHPGDSTRPV1
SCHEMBL6026939 0.74 NPY5R (0.64) SCN2ANPY5RHPGDSTRPV1
SCHEMBL4617647 0.73 NPC1 (0.62) S1PR1S1PR3PDE3BPDE3A
SCHEMBL17283469 0.72 SCN2A (0.96) SCN2ANPY5RHPGDS

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
CN-101184739-A Polycyclic * diazoles and iso- * azoles and their use as ligands for the S1P receptor NOVARTIS AG (CH) 2008-05-21 CN disclosed