SCHEMBL20201736

SCHEMBL20201736

Cc1cc(F)c(F)c(OCC2CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 1/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
RIPK1 Q13546 1/20 0.37
SCN9A Q15858 7/20 0.37
GRM2 Q14416 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
KAT6A Q92794 1/20 0.36
BRD4 O60885 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
SCHEMBL20201732 0.86 DCPS (0.38) DCPSHTR2AHTR2CHTR2BRIPK1
SCHEMBL20201698 0.83 HTR2A (0.36) DCPSHTR2AHTR2CHTR2BRIPK1
SCHEMBL11962822 0.79 HTR2A (0.43) HTR2AHTR2CHTR2BRIPK1FFAR4
SCHEMBL14199446 0.79 HTR2A (0.38) HTR2AHTR2CHTR2BRIPK1SCN9A
SCHEMBL765009 0.79 GRM2 (0.43) DCPSHTR2AHTR2CHTR2BRIPK1
SCHEMBL21325087 0.79 RIPK1 (0.41) HTR2AHTR2CHTR2BRIPK1SCN9A
SCHEMBL17855228 0.77 KDM4E (0.36)
SCHEMBL9250854 0.77 SCN9A (0.36) HTR2AHTR2CHTR2BRIPK1SCN9A
SCHEMBL9250852 0.77 SCN9A (0.36) HTR2AHTR2CHTR2BRIPK1SCN9A
SCHEMBL20862552 0.76 SCN9A (0.41) HTR2AHTR2CHTR2BSCN9A

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