SCHEMBL20207828

SCHEMBL20207828

C[C@H]1CCc2cc(F)c(OCC3CC3)cc21

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.40
HTR2A P28223 4/20 0.36
HTR2C P28335 4/20 0.36
HTR2B P41595 4/20 0.36
SCN5A Q14524 1/20 0.35
SLC18A2 Q05940 1/20 0.35

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
SCHEMBL20204880 0.92 SCN9A (0.39) SCN9AHTR2AHTR2CHTR2BSCN5A
SCHEMBL21325346 0.82 HTR2A (0.37) SCN9AHTR2AHTR2CHTR2BSCN5A
SCHEMBL20202027 0.82 SCN9A (0.36) SCN9AHTR2AHTR2CHTR2BSCN5A
SCHEMBL21325052 0.82 HTR2A (0.37) SCN9AHTR2AHTR2CHTR2BSCN5A
SCHEMBL20201456 0.80 MAOA (0.53) SCN9AHTR2AHTR2CHTR2BSLC18A2
SCHEMBL21325051 0.77 HTR2A (0.36) SCN9AHTR2AHTR2CHTR2BSCN5A
SCHEMBL22751279 0.77 SLC18A2 (0.36) SCN9AHTR2AHTR2CHTR2BSCN5A
SCHEMBL20201840 0.75 CA7 (0.46) SCN9ASCN5A
SCHEMBL21324950 0.72 CA7 (0.44) SCN9ASCN5A
SCHEMBL21533822 0.72 CA7 (0.44) SCN9ASCN5A

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-2018098207-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed