SCHEMBL9229598

SCHEMBL9229598

CC(C)(C)OC(=O)NCc1ccn2cc(-c3ccc(C(=O)N4CCC(OC(=O)OC(C)(C)C)CC4)cc3)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SUV39H2 Q9H5I1 16/20 0.42
▸ HDAC1 Q13547 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.37
▸ CHRM4 P08173 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
SCHEMBL8867348 0.89 SUV39H2 (0.43) SUV39H2HDAC1
SCHEMBL9234782 0.89 HPGDS (0.40) SUV39H2HDAC1NAMPTGPR119
SCHEMBL9238827 0.82 SUV39H2 (0.45) SUV39H2CHRM4
SCHEMBL8867482 0.81 SUV39H2 (0.47) SUV39H2HDAC1
SCHEMBL8866643 0.81 SUV39H2 (0.47) SUV39H2HDAC1NAMPT
SCHEMBL9235439 0.81 SUV39H2 (0.43) SUV39H2CHRM4
SCHEMBL9233170 0.81 SUV39H2 (0.43) SUV39H2CHRM4
Water SCHEMBL9282757 0.80 SUV39H2 (0.42) SUV39H2CHRM4
Water SCHEMBL9283601 0.79 GPR119 (0.41) SUV39H2GPR119
SCHEMBL9283018 0.79 GPR119 (0.41) SUV39H2GPR119

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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