SCHEMBL20201711

SCHEMBL20201711

CC(C)(NSc1cccc(OC2CCCC2)c1)c1ccc(CN2CC(=O)NC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 5/20 0.47
▸ GRM2 Q14416 1/20 0.37
▸ PDE4A P27815 6/20 0.33
▸ PDE4B Q07343 4/20 0.33
▸ PDE4C Q08493 4/20 0.33
▸ PDE4D Q08499 4/20 0.33
▸ KDM1A O60341 3/20 0.33
▸ SLC16A3 O15427 1/20 0.33
▸ SLC16A1 P53985 1/20 0.33
▸ MCTS1 Q9ULC4 1/20 0.33
▸ GAA P10253 1/20 0.32

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
SCHEMBL20189654 0.82 DUT (0.70) DUTGRM2
SCHEMBL21536582 0.76 DUT (0.49) DUTGRM2PDE4APDE4BPDE4C
SCHEMBL24153550 0.74 BACE1 (0.33) DUTGRM2PDE4BGAA
SCHEMBL18379994 0.73 DUT (0.68) DUTGRM2GAA
SCHEMBL20189396 0.73 DUT (0.49) DUTGAA
SCHEMBL21536743 0.71 DUT (0.47) DUTGRM2
SCHEMBL21536622 0.70 DUT (0.47) DUTGRM2
SCHEMBL21536091 0.70 DUT (0.47) DUTGRM2
SCHEMBL21536086 0.70 DUT (0.47) DUTGRM2
SCHEMBL21536094 0.70 DUT (0.45) DUTGRM2PDE4APDE4BPDE4C

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
WO-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 — — WO disclosed
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