SCHEMBL9207334

SCHEMBL9207334

COC(=O)C1CCCN(C(=O)OC(C)(C)C)N1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.47
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
KLK5 Q9Y337 1/20 0.45
USP30 Q70CQ3 1/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
MEN1 O00255 1/20 0.41
KLK7 P49862 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
LTA4H P09960 2/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
UCHL1 P09936 1/20 0.40
ACKR3 P25106 1/20 0.39

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
SCHEMBL19479525 0.77 CTSK (0.43) KLK5USP30KMT2ANPC1MEN1
SCHEMBL15447605 0.77 CTSK (0.43) KLK5USP30KMT2ANPC1MEN1
SCHEMBL20142381 0.76 GPR119 (0.52) GPR119NR1H2NR1H3USP30KDM4E
SCHEMBL21360316 0.76 GPR119 (0.52) GPR119NR1H2NR1H3USP30KDM4E
SCHEMBL16731904 0.76 GPR119 (0.52) GPR119NR1H2NR1H3USP30KDM4E
SCHEMBL12324594 0.75 NR1H2 (0.72) GPR119NR1H2NR1H3KMT2AMEN1
SCHEMBL21886120 0.75 NR1H2 (0.72) GPR119NR1H2NR1H3KMT2AMEN1
SCHEMBL15148025 0.75 NR1H2 (0.72) GPR119NR1H2NR1H3KMT2AMEN1
SCHEMBL29035348 0.74 SCN9A (0.48) KMT2ALTA4H
SCHEMBL26246339 0.74 SCN9A (0.48) KMT2ALTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1090612-C Amine derivatives of oxo-and hydroxy-substituted hydrocarbons NARHEX LTD (HK) 2002-09-11 CN disclosed
CN-1100090-A amine derivatives of oxo-and hydroxy-substituted hydrocarbons NARHEX LTD (HK) 1995-03-15 CN disclosed
EP-0633881-A4 AMINE DERIVATIVES OF OXO- AND HYDROXY-SUBSTITUED HYDROCARBONS. 1995-02-22 EP disclosed
EP-0633881-A1 AMINE DERIVATIVES OF OXO- AND HYDROXY-SUBSTITUED HYDROCARBONS Narhex Limited (HK) 1995-01-18 EP disclosed