SCHEMBL20201698

SCHEMBL20201698

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
RIPK1 Q13546 1/20 0.36
DCPS Q96C86 1/20 0.34
SCN9A Q15858 5/20 0.33
PDE10A Q9Y233 1/20 0.33
PDE4B Q07343 2/20 0.33
CNR2 P34972 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
KAT6A Q92794 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL20201736 0.83 DCPS (0.38) HTR2AHTR2CHTR2BRIPK1DCPS
SCHEMBL20201732 0.77 DCPS (0.38) HTR2AHTR2CHTR2BRIPK1DCPS
SCHEMBL765009 0.73 GRM2 (0.43) HTR2AHTR2CHTR2BRIPK1DCPS
SCHEMBL20204815 0.73 HTR1A (0.47) RIPK1
SCHEMBL18373998 0.72 CNR2 (0.39) HTR2AHTR2CHTR2BRIPK1DCPS
SCHEMBL20201734 0.70 KMO (0.39) HTR2CHTR2BRIPK1DCPSSCN9A
SCHEMBL11962822 0.70 HTR2A (0.43) HTR2AHTR2CHTR2BRIPK1PDE4B
SCHEMBL16662423 0.69 TSHR (0.47) HTR2BRIPK1
SCHEMBL26770363 0.69 HTR2C (0.47) HTR2AHTR2CHTR2BRIPK1PDE4B
SCHEMBL20201699 0.68 PDE10A (0.40) HTR2AHTR2CHTR2BRIPK1SCN9A

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