SCHEMBL8312380

SCHEMBL8312380

O=C1CC(NC(=O)c2ccccn2)CCCN1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.65
CRBN Q96SW2 1/20 0.54
SMYD3 Q9H7B4 1/20 0.52
GAA P10253 4/20 0.48
KDM4E B2RXH2 3/20 0.48
KMT2A Q03164 2/20 0.48
EGFR P00533 1/20 0.48
ERBB2 P04626 1/20 0.48
MET P08581 1/20 0.48
KDR P35968 1/20 0.48
MERTK Q12866 1/20 0.48
GRM4 Q14833 1/20 0.45
EPHX2 P34913 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL16394406 0.82 GRM5 (0.88) GRM5CRBNSMYD3GAAKDM4E
SCHEMBL2246381 0.82 GRM5 (0.82) GRM5SMYD3GAAKDM4EKMT2A
SCHEMBL31227157 0.82 GRM5 (0.68) GRM5CRBNSMYD3GAAKDM4E
SCHEMBL22449377 0.81 GRM5 (0.80) GRM5SMYD3GAAKDM4EKMT2A
SCHEMBL2590689 0.81 GRM5 (0.80) GRM5SMYD3GAAKDM4EKMT2A
Hydrochloric Acid SCHEMBL16528325 0.81 GRM5 (0.67) GRM5CRBNSMYD3GAAKDM4E
SCHEMBL2241357 0.79 GRM5 (0.77) GRM5CRBNSMYD3GAAKDM4E
SCHEMBL29745057 0.78 GRM5 (0.67) GRM5CRBNSMYD3GAAKDM4E
SCHEMBL14856047 0.78 ALDH1A1 (0.60) GAAKDM4EKMT2AMAPT
SCHEMBL8317012 0.77 GRM5 (0.49) GRM5GAAKDM4EKMT2AMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0351856-B1 Thiazolo[5,4-b]azepine compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-09-15 EP disclosed
US-5300639-A 2-oxo-3-carbonylamino-substituted azepine intermediates; lipoperoxide formation inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-05 US disclosed
US-5118806-A Enzyme inhibitor for lipoxygenase; useful for treating cancer, hepatic diseases, inflammation, cerebrovascular diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-06-02 US disclosed
US-4956360-A LIPOPEROXIDE INHIBITORS, ENZYME INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-09-11 US disclosed
EP-0351856-A2 Thiazolo[5,4-b]azepine compounds Takeda Chemical Industries, Ltd. (JP) 1990-01-24 EP disclosed