SCHEMBL1551996

SCHEMBL1551996

CCCCOC(=O)N1CCO[C@H](Cc2cc(F)c(OCC[C@@H](O)C(F)(F)F)cc2F)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ENPP2 Q13822 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
P2RY12 Q9H244 1/20 0.32
GRIN2B Q13224 4/20 0.32
PDE4B Q07343 1/20 0.31
SCN9A Q15858 3/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
MGLL Q99685 1/20 0.30

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
SCHEMBL1552519 0.87 SCN9A (0.42) SCN9A
SCHEMBL1552517 0.87 SCN9A (0.42) SCN9A
SCHEMBL1552954 0.73 SLC6A4 (0.38) HRH1
SCHEMBL1552952 0.73 SLC6A4 (0.38) HRH1
SCHEMBL1552955 0.73 SLC6A4 (0.38) HRH1
SCHEMBL4746196 0.70 REN (0.36) POLBLMNASMN1; SMN2ENPP2PTGDR2
SCHEMBL23764633 0.68 POLB (0.58) POLBLMNASMN1; SMN2ENPP2HRH2
SCHEMBL9212935 0.68 POLB (0.58) POLBLMNASMN1; SMN2ENPP2HRH2
SCHEMBL3769071 0.68 POLB (0.58) POLBLMNASMN1; SMN2ENPP2HRH2
SCHEMBL28018928 0.67 POLB (0.57) POLBLMNASMN1; SMN2ENPP2P2RY12

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-1844026-B1 MORPHOLINES AS 5HT2C AGONISTS HOFFMANN LA ROCHE (CH) 2011-04-27 EP disclosed