SCHEMBL20201675

SCHEMBL20201675

C[C@H](N[S+]([O-])CCCCCN1CCNC1=O)c1cc(OCC2CC2)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 7/20 0.37
▸ BACE1 P56817 3/20 0.34
▸ BACE2 Q9Y5Z0 3/20 0.34
▸ ACACB O00763 3/20 0.34
▸ MAOB P27338 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ PDK2 Q15119 1/20 0.33

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
SCHEMBL20351534 0.80 ACACB (0.36) ACACB
SCHEMBL20201713 0.76 ACACB (0.40) ACACB
SCHEMBL20207823 0.72 DUT (0.51) DUTBACE1BACE2ACACB
SCHEMBL21325417 0.70 DUT (0.47) DUT
SCHEMBL22751576 0.69 FFAR4 (0.35) ACACB
SCHEMBL20188388 0.69 DUT (0.68) DUT
SCHEMBL29386565 0.69 DUT (0.68) DUT
SCHEMBL20351400 0.69 DUT (0.68) DUT
SCHEMBL18374243 0.69 DUT (0.68) DUT
SCHEMBL18374246 0.68 ACACB (0.43) ACACB

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
Send feedback