SCHEMBL20201737

SCHEMBL20201737

Cc1cc(OCC2CC2)c(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.40
SCN9A Q15858 6/20 0.40
KMO O15229 2/20 0.40
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL20201700 0.89 ALDH1A1 (0.42) CNR2KMO
SCHEMBL23909099 0.85 CNR2 (0.38) CNR2SCN9AKMO
SCHEMBL20201733 0.85 SCN9A (0.46) SCN9AFFAR4
SCHEMBL23915543 0.81 CNR2 (0.40) CNR2SCN9AKMOFFAR4
SCHEMBL24777832 0.81 SCN9A (0.49) SCN9AFFAR4
SCHEMBL18122083 0.81 MAPT (0.53) CNR2KMOFFAR4
SCHEMBL23909079 0.79 CNR2 (0.41) CNR2SCN9A
SCHEMBL21325096 0.78 CNR2 (0.43) CNR2
SCHEMBL21536594 0.78 CNR2 (0.43) CNR2
SCHEMBL29952239 0.78 CNR2 (0.41) CNR2SCN9AKMOFFAR4

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-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
WO-2018098208-A1 NITROGEN RING LINKED DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed