SCHEMBL8315644

SCHEMBL8315644

O=C1CC(NC(=O)c2ccc(C(F)(F)F)cc2)CCCN1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 5/20 0.47
F2R P25116 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HDAC6 Q9UBN7 2/20 0.46
SCN9A Q15858 3/20 0.45
SCN10A Q9Y5Y9 2/20 0.45
TRPV1 Q8NER1 2/20 0.43
CYP1A2 P05177 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL9203007 0.87 MEN1 (0.55) SMN1; SMN2
SCHEMBL9200453 0.87 MEN1 (0.55) SMN1; SMN2
SCHEMBL14856586 0.87 MEN1 (0.55) SMN1; SMN2
SCHEMBL14856022 0.84 RAB9A (0.62) NPC1RAB9ACYP1A2HPGDCYP2C19
SCHEMBL8312276 0.84 RAB9A (0.62) NPC1RAB9ACYP1A2HPGDCYP2C19
SCHEMBL8311826 0.83 NPC1 (0.68) NPC1RAB9ASCN9ACYP1A2HPGD
SCHEMBL8313089 0.82 NPC1 (0.46) NPC1RAB9ACYP1A2HPGDCYP2C19
SCHEMBL9200588 0.81 NPC1 (0.52) NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL8313720 0.81 NPC1 (0.52) NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL7652620 0.80 NPC1 (0.68) HDAC4NPC1RAB9AHDAC6TRPV1

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