SCHEMBL14035360

SCHEMBL14035360

O[C@@H](CN1CCNCC1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.65
KMT2A Q03164 5/20 0.63
MEN1 O00255 4/20 0.63
KDM4E B2RXH2 4/20 0.63
OPRM1 P35372 1/20 0.63
OPRD1 P41143 1/20 0.63
IGF1R P08069 3/20 0.54
SIGMAR1 Q99720 2/20 0.51
RAD52 P43351 1/20 0.51
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL14035242 1.00 GAA (0.65) GAAKMT2AMEN1KDM4EOPRM1
SCHEMBL2797036 1.00 GAA (0.65) GAAKMT2AMEN1KDM4EOPRM1
SCHEMBL24672687 0.98 GAA (0.63) GAAKMT2AMEN1KDM4EOPRM1
Hydrochloric Acid SCHEMBL3844155 0.98 GAA (0.63) GAAKMT2AMEN1KDM4EOPRM1
Hydrochloric Acid SCHEMBL4463433 0.98 GAA (0.63) GAAKMT2AMEN1KDM4EOPRM1
Hydrochloric Acid SCHEMBL4463437 0.98 GAA (0.63) GAAKMT2AMEN1KDM4EOPRM1
SCHEMBL31341398 0.91 KMT2A (0.61) GAAKMT2AMEN1KDM4EOPRM1
SCHEMBL2796836 0.87 GAA (0.82) GAAKMT2AMEN1KDM4EOPRM1
SCHEMBL10746494 0.87 GAA (0.82) GAAKMT2AMEN1KDM4EOPRM1
SCHEMBL28761705 0.84 GRIN2B (0.48) GAAKMT2AMEN1KDM4EOPRM1

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
WO-2008134036-A1 ALPHA-SUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-α]PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 WO disclosed