SCHEMBL8312018

SCHEMBL8312018

N#Cc1cccc(C(=O)NC2CCCNC(=O)C2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.59
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GFER P55789 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PKM P14618 1/20 0.45
ADRA2A P08913 1/20 0.45
MCHR1 Q99705 1/20 0.45
SCN9A Q15858 1/20 0.44
MAPK14 Q16539 1/20 0.44
ACKR3 P25106 2/20 0.43
USP30 Q70CQ3 1/20 0.43
HPGD P15428 1/20 0.43
CHEK1 O14757 1/20 0.43

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
SCHEMBL8311826 0.85 NPC1 (0.68) RAB9ANPC1L3MBTL1SMN1; SMN2SCN9A
SCHEMBL8315157 0.84 GRM5 (0.59) GRM5RAB9ANPC1SMN1; SMN2PKM
SCHEMBL26407280 0.83 RAB9A (0.69) GRM5RAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL19918763 0.83 CHEK1 (0.58) GRM5RAB9ANPC1L3MBTL1CHEK1
SCHEMBL9200453 0.81 MEN1 (0.55) GRM5L3MBTL1SMN1; SMN2
SCHEMBL14856586 0.81 MEN1 (0.55) GRM5L3MBTL1SMN1; SMN2
SCHEMBL9203007 0.81 MEN1 (0.55) GRM5L3MBTL1SMN1; SMN2
SCHEMBL9694471 0.79 RAB9A (0.62) GRM5RAB9ANPC1L3MBTL1KDM4E
SCHEMBL8310985 0.78 GRM5 (0.55) GRM5RAB9AL3MBTL1SMN1; SMN2KDM4E
SCHEMBL9206998 0.78 GRM5 (0.55) GRM5RAB9AL3MBTL1SMN1; SMN2KDM4E

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