SCHEMBL2501733

SCHEMBL2501733

CN(C)C(=O)[C@@H]1C[C@@H](OCCO)CN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.41
NR1H2 P55055 1/20 0.37
MCL1 Q07820 8/20 0.33
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
P2RX3 P56373 1/20 0.31
AVPR2 P30518 1/20 0.31

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
SCHEMBL2495165 0.93 UCHL1 (0.40) UCHL1NR1H2MCL1CYP1A2POLB
SCHEMBL5352509 0.87 UCHL1 (0.42) UCHL1NR1H2MCL1CYP1A2POLB
SCHEMBL2499313 0.86 UCHL1 (0.39) UCHL1NR1H2MCL1CYP1A2POLB
SCHEMBL2495065 0.84 UCHL1 (0.40) UCHL1NR1H2MCL1P2RX3
SCHEMBL27017575 0.84 P2RX3 (0.40) UCHL1NR1H2MCL1CYP1A2POLB
SCHEMBL27043921 0.84 P2RX3 (0.40) UCHL1NR1H2MCL1CYP1A2POLB
SCHEMBL2502694 0.83 UCHL1 (0.40) UCHL1NR1H2MCL1CYP1A2POLB
SCHEMBL2494481 0.83 UCHL1 (0.40) UCHL1NR1H2MCL1CYP1A2POLB
SCHEMBL5067832 0.83 AGTR2 (0.33) AVPR2
SCHEMBL5359255 0.83 UCHL1 (0.54) UCHL1NR1H2MCL1CYP1A2POLB

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
US-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 US disclosed