SCHEMBL20201713

SCHEMBL20201713

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 6/20 0.40
▸ ACACA Q13085 5/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ PARP10 Q53GL7 3/20 0.38
▸ PARP15 Q460N3 2/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ SCN1A P35498 1/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ SCN8A Q9UQD0 1/20 0.37
▸ FFAR1 O14842 2/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36

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 0.87 ACACB (0.36) ACACBACACAFFAR4PARP10PARP15
SCHEMBL18374246 0.83 ACACB (0.43) ACACBACACAFFAR4PARP10PARP15
SCHEMBL20374442 0.80 PARP10 (0.45) ACACBACACAFFAR4PARP10PARP15
SCHEMBL20207072 0.78 PARP10 (0.48) FFAR4PARP10PARP15FFAR1
SCHEMBL21350592 0.77 CA1 (0.47) ACACBACACAFFAR4PARP10PARP15
SCHEMBL20201675 0.76 DUT (0.37) ACACB
SCHEMBL20338523 0.75 ACACB (0.47) ACACBACACAFFAR4PARP10PARP15
SCHEMBL20188183 0.75 ACACB (0.47) ACACBACACAFFAR4PARP10PARP15
SCHEMBL22751576 0.74 FFAR4 (0.35) ACACBFFAR4SCN1ASCN5ASCN8A
SCHEMBL20338508 0.74 DUT (0.49) —

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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