SCHEMBL9283018

SCHEMBL9283018

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 4/20 0.41
▸ MKNK1 Q9BUB5 3/20 0.40
▸ MKNK2 Q9HBH9 3/20 0.40
▸ SUV39H2 Q9H5I1 4/20 0.40
▸ KDM1A O60341 4/20 0.40
▸ CETP P11597 1/20 0.39
▸ EGLN2 Q96KS0 2/20 0.38
▸ FASN P49327 2/20 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
Water SCHEMBL9283601 1.00 GPR119 (0.41) GPR119MKNK1MKNK2SUV39H2KDM1A
SCHEMBL9277027 0.88 GPR119 (0.44) GPR119MKNK1MKNK2KDM1A
SCHEMBL8866503 0.88 TP53 (0.42) GPR119MKNK1MKNK2SUV39H2KDM1A
SCHEMBL8868301 0.88 CETP (0.45) GPR119MKNK1MKNK2SUV39H2KDM1A
Water SCHEMBL9282757 0.88 SUV39H2 (0.42) SUV39H2
SCHEMBL9233170 0.87 SUV39H2 (0.43) SUV39H2
SCHEMBL9235439 0.87 SUV39H2 (0.43) SUV39H2
SCHEMBL9281434 0.86 APP (0.45) GPR119MKNK1MKNK2KDM1A
SCHEMBL9238827 0.85 SUV39H2 (0.45) SUV39H2
SCHEMBL8865946 0.82 CETP (0.40) MKNK1MKNK2SUV39H2CETPEGLN2

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
Send feedback