SCHEMBL5490109

SCHEMBL5490109

O=C(O)[C@@H]1CCC[C@@H]1NCc1cccc(OCc2ccccc2F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.47
SCN3A Q9NY46 7/20 0.46
KCNH2 Q12809 5/20 0.46
HPD P32754 1/20 0.45
SPHK2 Q9NRA0 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43
MAOB P27338 1/20 0.43
SSTR3 P32745 1/20 0.42
LPAR1 Q92633 1/20 0.42
LPAR5 Q9H1C0 1/20 0.42
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
SCN1A P35498 1/20 0.41
SCN4A P35499 1/20 0.41
SCN7A Q01118 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN8A Q9UQD0 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41

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
SCHEMBL5481355 0.91 KCNH2 (0.52) KDM1ASCN3AKCNH2HPDSPHK2
SCHEMBL6064341 0.91 KCNH2 (0.52) KDM1ASCN3AKCNH2HPDSPHK2
SCHEMBL5481350 0.91 KCNH2 (0.52) KDM1ASCN3AKCNH2HPDSPHK2
SCHEMBL5481360 0.91 KCNH2 (0.52) KDM1ASCN3AKCNH2HPDSPHK2
Carbamic Acid SCHEMBL5491782 0.82 SCN3A (0.52) SCN3AKCNH2HPDSPHK2SPHK1
SCHEMBL5493109 0.80 KDM1A (0.57) KDM1AKCNH2SPHK2SPHK1
SCHEMBL5483694 0.80 SCN3A (0.58) SCN3AKCNH2MAOBLPAR1LPAR5
SCHEMBL5488311 0.77 SCN3A (0.46) SCN3AKCNH2MAOBSCN1ASCN4A
SCHEMBL5394785 0.76 HPGD (0.51) KDM1ASSTR3F2SCN9A
SCHEMBL372599 0.76 HPGD (0.51) KDM1ASSTR3F2SCN9A

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-1687259-B1 CYCLOPENTYL DERIVATES NEWRON PHARM SPA (IT) 2007-08-08 EP disclosed