SCHEMBL9233170

SCHEMBL9233170

CC(C)(C)OC(=O)OC1CCN(C(=O)c2ccn3cc(-c4ccc(C(=N)N)cc4)nc3c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SUV39H2 Q9H5I1 6/20 0.43
▸ PRSS1 P07477 4/20 0.39
▸ PRSS2 P07478 3/20 0.39
▸ PRSS3 P35030 3/20 0.39
▸ ST14 Q9Y5Y6 2/20 0.39
▸ F10 P00742 1/20 0.39
▸ PARP1 P09874 2/20 0.37
▸ PARP2 Q9UGN5 2/20 0.37
▸ CHEK2 O96017 1/20 0.36
▸ F2 P00734 2/20 0.36
▸ CHRM4 P08173 3/20 0.36
▸ HPGD P15428 1/20 0.35
▸ THRB P10828 1/20 0.34
▸ TPSAB1 Q15661 1/20 0.34
▸ TPSD1 Q9BZJ3 1/20 0.34
▸ TPSG1 Q9NRR2 1/20 0.34

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
Water SCHEMBL9282757 0.99 SUV39H2 (0.42) SUV39H2PRSS1PRSS2PRSS3ST14
SCHEMBL9238827 0.97 SUV39H2 (0.45) SUV39H2PRSS1PRSS2PRSS3ST14
SCHEMBL9235439 0.92 SUV39H2 (0.43) SUV39H2PARP1PARP2CHEK2CHRM4
SCHEMBL9235402 0.89 HPGDS (0.42) SUV39H2PRSS1PRSS2PRSS3ST14
SCHEMBL8866849 0.88 SUV39H2 (0.44) SUV39H2PRSS1PRSS2PRSS3ST14
SCHEMBL9235366 0.88 SUV39H2 (0.44) SUV39H2PRSS1PRSS2PRSS3ST14
SCHEMBL9233193 0.87 HPGDS (0.42) SUV39H2PRSS1PRSS2PRSS3ST14
SCHEMBL9283018 0.87 GPR119 (0.41) SUV39H2
Water SCHEMBL9283601 0.87 GPR119 (0.41) SUV39H2
SCHEMBL8866447 0.85 SUV39H2 (0.46) SUV39H2PRSS1PRSS2PRSS3ST14

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
EP-0668278-A1 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1995-08-23 — — EP disclosed
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