SCHEMBL8314705

SCHEMBL8314705

O=C1CC(NC(=O)c2c[nH]c3ccccc23)CCCN1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.54
HTR3E A5X5Y0 2/20 0.50
HTR3B O95264 2/20 0.50
HTR3A P46098 2/20 0.50
HTR3D Q70Z44 2/20 0.50
HTR3C Q8WXA8 2/20 0.50
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KMT2A Q03164 1/20 0.47
CNR2 P34972 1/20 0.46
BACE1 P56817 1/20 0.45
PREP P48147 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GPR84 Q9NQS5 1/20 0.43
HTR4 Q13639 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
SCHEMBL26414747 0.82 RAB9A (0.76) RAB9ANPC1HTR3EHTR3BHTR3A
SCHEMBL14856047 0.79 ALDH1A1 (0.60) RAB9ANPC1ALDH1A1KDM4ELMNA
SCHEMBL8317012 0.78 GRM5 (0.49) RAB9ANPC1ALDH1A1KDM4ELMNA
SCHEMBL20590676 0.75 RAB9A (0.59) RAB9ANPC1HTR3EHTR3BHTR3A
SCHEMBL21489827 0.75 RAB9A (0.59) RAB9ANPC1HTR3EHTR3BHTR3A
SCHEMBL19710504 0.75 RAB9A (0.59) RAB9ANPC1HTR3EHTR3BHTR3A
SCHEMBL8312380 0.73 GRM5 (0.65) KDM4ETDP1KMT2A
SCHEMBL4002890 0.73 RAB9A (0.53) RAB9ANPC1HTR3EHTR3BHTR3A
SCHEMBL10673661 0.72 HTR3A (0.78) RAB9AHTR3EHTR3BHTR3AHTR3D
SCHEMBL8316629 0.72 RAB9A (0.50) RAB9ANPC1ALDH1A1KDM4ELMNA

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