SCHEMBL28457013

SCHEMBL28457013

CCOC(=O)c1c(C)nc2cccc(OCCCNC(=O)c3ccncc3)c2c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MCHR1 Q99705 4/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ NAAA Q02083 1/20 0.42
▸ GABRP O00591 1/20 0.40
▸ GABRD O14764 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ GABRA3 P34903 1/20 0.40
▸ GABRA2 P47869 1/20 0.40
▸ GABRB2 P47870 1/20 0.40
▸ GABRA4 P48169 1/20 0.40
▸ GABRE P78334 1/20 0.40
▸ GABRA6 Q16445 1/20 0.40
▸ GABRG1 Q8N1C3 1/20 0.40

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
SCHEMBL28460462 0.89 MCHR1 (0.46) MCHR1KMT2AMEN1GABRPGABRD
SCHEMBL28457387 0.88 SMN1; SMN2 (0.44) L3MBTL1KMT2AMEN1GABRPGABRD
SCHEMBL21281438 0.87 KMT2A (0.44) TSHRL3MBTL1MCHR1KMT2AMEN1
SCHEMBL28451356 0.87 MCHR1 (0.41) MCHR1KMT2AMEN1GABRPGABRD
SCHEMBL28449446 0.86 MCHR1 (0.45) MCHR1KMT2AMEN1GABRPGABRD
SCHEMBL28451370 0.86 ALDH1A1 (0.44) TSHRKMT2AMEN1NAAAGABRP
SCHEMBL28455329 0.83 HCRTR1 (0.43) TSHRKMT2AMEN1NAAAGABRP
SCHEMBL31670303 0.83 ALDH1A1 (0.41) TSHRKMT2AMEN1GABRPGABRD
SCHEMBL31670267 0.83 ALDH1A1 (0.41) TSHRKMT2AMEN1GABRPGABRD
SCHEMBL618725 0.83 GABRP (0.41) KMT2AMEN1GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106107406-B Methods of improving the stability of sweetness enhancers and compositions comprising stable sweetness enhancers 弗门尼舍公司 2020-06-09 — — CN disclosed
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