SCHEMBL8237607

SCHEMBL8237607

CCCCC(O)(c1ccccc1)[C@H](C)n1cnc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)c1C1=CC=CCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.37
DAGLA Q9Y4D2 1/20 0.37
PARP1 P09874 1/20 0.35
DPP4 P27487 1/20 0.34
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
HDAC1 Q13547 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
CA1 P00915 6/20 0.31
CA2 P00918 6/20 0.31
CA4 P22748 6/20 0.31
CA9 Q16790 6/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
ACHE P22303 1/20 0.30
KLK7 P49862 1/20 0.30
KLK5 Q9Y337 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL13340978 0.89 ABHD6 (0.42) ABHD6DAGLAPARP1DPP4NR1H2
SCHEMBL3491419 0.81 CA1 (0.36) ABHD6DAGLACA1CA2CA4
SCHEMBL13340974 0.78 ABHD6 (0.47) ABHD6DAGLAPARP1DPP4NR1H2
SCHEMBL13340972 0.77 ABHD6 (0.43) ABHD6DAGLAPARP1DPP4NR1H2
SCHEMBL8235524 0.72 ABHD6 (0.46) ABHD6DAGLAPARP1DPP4NR1H2
SCHEMBL13340965 0.72 ABHD6 (0.46) ABHD6DAGLAPARP1DPP4NR1H2
SCHEMBL13340969 0.72 ABHD6 (0.44) ABHD6DAGLAPARP1DPP4NR1H2
SCHEMBL8230011 0.72 ABHD6 (0.46) ABHD6DAGLAPARP1DPP4NR1H2
SCHEMBL8230166 0.72 ABHD6 (0.46) ABHD6DAGLAPARP1DPP4NR1H2
SCHEMBL8113853 0.71 ABHD6 (0.40) ABHD6DAGLAPARP1DPP4NR1H2

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
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO disclosed