SCHEMBL8310985

SCHEMBL8310985

O=C1CC(NC(=O)c2cccnc2)CCCN1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.55
ALDH1A1 P00352 6/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HTT P42858 1/20 0.51
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
GFER P55789 1/20 0.45
MMP2 P08253 2/20 0.44
ANPEP P15144 2/20 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
SCHEMBL9206998 1.00 GRM5 (0.55) GRM5ALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL3427705 0.82 ALDH1A1 (0.74) GRM5ALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL3427969 0.82 ALDH1A1 (0.70) GRM5ALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL10143960 0.81 ALDH1A1 (0.77) GRM5ALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL4414127 0.81 ALDH1A1 (0.77) GRM5ALDH1A1L3MBTL1MAPTSMN1; SMN2
Piperidine SCHEMBL3246198 0.80 ALDH1A1 (0.67) GRM5ALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL1116630 0.79 ALDH1A1 (0.78) GRM5ALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL8863954 0.79 ALDH1A1 (0.65) GRM5ALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL8312018 0.78 GRM5 (0.59) GRM5L3MBTL1SMN1; SMN2RAB9AKDM4E
SCHEMBL8312276 0.78 RAB9A (0.62) ALDH1A1SMN1; SMN2TSHRRAB9A

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 7 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 claimed
US-5300639-A 2-oxo-3-carbonylamino-substituted azepine intermediates; lipoperoxide formation inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-05 US claimed
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