SCHEMBL9013887

SCHEMBL9013887

CC(=O)N1CCC(Oc2ccccc2N)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.49
CHUK O15111 1/20 0.49
NAMPT P43490 1/20 0.46
RBP4 P02753 1/20 0.44
CACNB4 O00305 1/20 0.44
CACNA1A O00555 1/20 0.44
CACNA1G O43497 1/20 0.44
CACNG3 O60359 1/20 0.44
CACNA1F O60840 1/20 0.44
CACNA1H O95180 1/20 0.44
CACNB3 P54284 1/20 0.44
CACNA2D1 P54289 1/20 0.44
CACNG7 P62955 1/20 0.44
CACNA1B Q00975 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNB1 Q02641 1/20 0.44
CACNG1 Q06432 1/20 0.44
CACNB2 Q08289 1/20 0.44
CACNA1S Q13698 1/20 0.44
CACNA1C Q13936 1/20 0.44

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
SCHEMBL14413611 0.87 PIM1 (0.47) RBP4EPHX2PDE4BKDM4ENPY1R
SCHEMBL2636755 0.84 PDE4B (0.46) RBP4EPHX2PDE4B
SCHEMBL17738654 0.84 IKBKB (0.42) IKBKBCHUKNAMPTCACNB4CACNA1A
SCHEMBL15061997 0.84 EPHX2 (0.59) IKBKBCHUKNAMPTRBP4EPHX2
SCHEMBL2636756 0.83 SCD (0.45) RBP4EPHX2KDM4ENPY1RNPY2R
SCHEMBL17559489 0.81 IKBKB (0.51) IKBKBCHUKNAMPTEPHX2KDM4E
Hydrochloric Acid SCHEMBL9014042 0.81 IKBKB (0.49) IKBKBCHUKNAMPTPDE4BALDH1A1
SCHEMBL17955461 0.80 RBP4 (0.67) IKBKBCHUKNAMPTRBP4CACNB4
SCHEMBL2091338 0.78 EPHX2 (0.57) IKBKBCHUKNAMPTEPHX2
SCHEMBL9014082 0.78 SCD (0.55) IKBKBCHUKNAMPTKDM4ESMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5580883-A INHIBITING DEGENERATION AND NECROCYTOSIS OF CEREBRAL NERVE CELLS CAUSED BY OXIDATIVE STRESS INDUCING GLUTAMIC ACID IN MAMMALS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-03 US disclosed
EP-0449195-B1 Aminobenzene compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-05-08 EP disclosed
EP-0449195-A2 Aminobenzene compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-10-02 EP disclosed