SCHEMBL8865989

SCHEMBL8865989

CC(C)(C)OC(=O)CCN1CCN(C(=O)c2ccn3cc(-c4ccc(C#N)cc4)nc3c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SUV39H2 Q9H5I1 4/20 0.41
▸ MKNK1 Q9BUB5 3/20 0.41
▸ MKNK2 Q9HBH9 3/20 0.41
▸ HRH3 Q9Y5N1 4/20 0.40
▸ KCNA5 P22460 1/20 0.40
▸ TLR9 Q9NR96 2/20 0.39
▸ TLR7 Q9NYK1 2/20 0.39
▸ CCNC P24863 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ CHRM4 P08173 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TACR3 P29371 1/20 0.37
▸ EGLN2 Q96KS0 1/20 0.37

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
SCHEMBL8865946 0.92 CETP (0.40) SUV39H2MKNK1MKNK2HRH3KCNA5
SCHEMBL8866999 0.87 KCNA5 (0.44) SUV39H2MKNK1MKNK2HRH3KCNA5
SCHEMBL8868301 0.84 CETP (0.45) SUV39H2MKNK1MKNK2EGLN2
SCHEMBL8866503 0.82 TP53 (0.42) SUV39H2MKNK1MKNK2EGLN2
SCHEMBL8866816 0.82 MKNK1 (0.42) SUV39H2MKNK1MKNK2HRH3KCNA5
SCHEMBL9283018 0.81 GPR119 (0.41) SUV39H2MKNK1MKNK2EGLN2
Water SCHEMBL9283601 0.81 GPR119 (0.41) SUV39H2MKNK1MKNK2EGLN2
SCHEMBL8866536 0.80 SUV39H2 (0.43) SUV39H2CHRM4EGLN2
SCHEMBL8866254 0.80 APP (0.39) SUV39H2HRH3TLR9TLR7CCNC
SCHEMBL8867140 0.79 EGLN2 (0.42) SUV39H2CHRM4EGLN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5614531-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 — — US disclosed
EP-0668278-A1 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1995-08-23 — — EP disclosed
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