SCHEMBL5041806

SCHEMBL5041806

O=C(c1cc([N+](=O)[O-])ccc1OC1CCCCCC1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 12/20 0.61
SLC6A5 Q9Y345 6/20 0.61
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 1/20 0.51
ENPP2 Q13822 3/20 0.51
KCNH2 Q12809 1/20 0.50
IDE P14735 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL4427317 0.99 SLC6A9 (0.62) SLC6A9SLC6A5LMNASMN1; SMN2MAPT
SCHEMBL4424662 0.97 SLC6A9 (0.62) SLC6A9SLC6A5LMNASMN1; SMN2MAPT
SCHEMBL5045258 0.88 SLC6A9 (0.63) SLC6A9SLC6A5LMNASMN1; SMN2MAPT
SCHEMBL5047635 0.85 SLC6A9 (0.62) SLC6A9SLC6A5LMNASMN1; SMN2MAPT
SCHEMBL4420914 0.85 SLC6A9 (0.66) SLC6A9SLC6A5LMNASMN1; SMN2MAPT
SCHEMBL4424535 0.84 SLC6A9 (0.67) SLC6A9SLC6A5LMNASMN1; SMN2MAPT
SCHEMBL4433803 0.84 SLC6A9 (0.73) SLC6A9SLC6A5KCNH2
SCHEMBL4426863 0.84 SLC6A9 (0.72) SLC6A9SLC6A5LMNASMN1; SMN2MAPT
SCHEMBL4429110 0.84 SLC6A9 (0.57) SLC6A9SLC6A5LMNASMN1; SMN2MAPT
SCHEMBL4427344 0.83 SLC6A9 (0.66) SLC6A9SLC6A5LMNASMN1; SMN2MAPT

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-1656361-B1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed