SCHEMBL5729552

SCHEMBL5729552

O=C(OC1=CC=CC=CN1)C(=O)OC1=CC=CC=CN1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
Hydrochloric Acid SCHEMBL10971804 0.83
SCHEMBL27422026 0.83 MEN1 (0.32)
SCHEMBL27340494 0.83 GAA (0.35) RAB9AHSD17B10
SCHEMBL8714139 0.82 KDM4E (0.31) HSD17B10
SCHEMBL8352064 0.82 KDM4E (0.31) HSD17B10
SCHEMBL2578315 0.82 KMT2A (0.33) HSD17B10
SCHEMBL27718907 0.81 FABP7 (0.36) NPC1RAB9A
SCHEMBL28756549 0.79 KMT2A (0.35)
SCHEMBL5729041 0.79
SCHEMBL27661703 0.79 KMT2A (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-52053877-A None JP disclosed
CN-1934088-A As 5-HT2c6-substituted 2,3,4, 5-tetrahydro-1H-benzo [ d ] receptor agonists]Aza * LILLY CO ELI (US) 2007-03-21 CN disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed
EP-0351856-A2 Thiazolo[5,4-b]azepine compounds Takeda Chemical Industries, Ltd. (JP) 1990-01-24 EP disclosed
JP-S5253877-A PROCES FOR REPARING NOVEL MORPHOLINE DERIVATIVES AND THEIR ACID ADDUCT S SUMITOMO CHEM CO LTD 1977-04-30 JP disclosed