SCHEMBL20201944

SCHEMBL20201944

CN[C@@H](C)c1ccc(F)c(OCCC2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.43
▸ DUT P33316 13/20 0.41
▸ HTR2C P28335 3/20 0.39
▸ SLC6A4 P31645 3/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ ACACB O00763 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
SCHEMBL20201537 0.86 DUT (0.51) DUTACACB
SCHEMBL20207754 0.86 DUT (0.51) DUTACACB
SCHEMBL20373902 0.86 SCN9A (0.43) SCN9ADUT
SCHEMBL18374371 0.84 SCN9A (0.42) SCN9ADUT
Hydrochloric Acid SCHEMBL20191182 0.83 SCN9A (0.41) SCN9ADUT
Hydrochloric Acid SCHEMBL20191183 0.83 SCN9A (0.41) SCN9ADUT
SCHEMBL20370301 0.82 SCN9A (0.38) SCN9ADUTACACB
SCHEMBL20201966 0.82 CALM1 (0.37) DUTACACB
SCHEMBL21350275 0.79 DUT (0.38) SCN9ADUTACACB
SCHEMBL12810253 0.78 DUT (0.47) DUT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018128720-A1 URACIL CONTAINING COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-07-12 — — WO disclosed
WO-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 — — WO disclosed
Send feedback