SCHEMBL5041982

SCHEMBL5041982

O=C(c1cc([N+](=O)[O-])ccc1O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1.O=C(c1cc([N+](=O)[O-])ccc1OCC(F)F)N1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 11/20 0.59
SLC6A5 Q9Y345 6/20 0.59
ENPP2 Q13822 4/20 0.53
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.48
KCNH2 Q12809 1/20 0.48
IDE P14735 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL5133872 0.90 SLC6A9 (0.59) SLC6A9SLC6A5ENPP2LMNASMN1; SMN2
SCHEMBL5133355 0.89 SLC6A9 (0.58) SLC6A9SLC6A5ENPP2LMNASMN1; SMN2
SCHEMBL5042592 0.89 SLC6A9 (0.58) SLC6A9SLC6A5ENPP2LMNASMN1; SMN2
SCHEMBL4419697 0.89 SLC6A9 (0.61) SLC6A9SLC6A5ENPP2LMNASMN1; SMN2
SCHEMBL27669124 0.88 SLC6A9 (0.56) SLC6A9SLC6A5ENPP2LMNASMN1; SMN2
SCHEMBL4420325 0.88 SLC6A9 (0.73) SLC6A9SLC6A5ENPP2LMNASMN1; SMN2
SCHEMBL5045633 0.88 SLC6A9 (0.61) SLC6A9SLC6A5ENPP2LMNASMN1; SMN2
SCHEMBL5037824 0.87 SLC6A9 (0.56) SLC6A9SLC6A5ENPP2LMNASMN1; SMN2
SCHEMBL5048170 0.87 SLC6A9 (0.56) SLC6A9SLC6A5ENPP2LMNASMN1; SMN2
SCHEMBL5132694 0.86 SLC6A9 (0.57) SLC6A9SLC6A5ENPP2LMNASMN1; SMN2

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