SCHEMBL20201734

SCHEMBL20201734

Cc1cc(Cl)c(C)c(OCC2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.39
DCPS Q96C86 1/20 0.38
RIPK1 Q13546 1/20 0.37
CNR2 P34972 7/20 0.37
SCN9A Q15858 3/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
GRM2 Q14416 1/20 0.37
F2 P00734 1/20 0.36
CTRC Q99895 1/20 0.36

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
SCHEMBL745570 0.83 MAPT (0.49) KMOHTR2CHTR2BGRM2
SCHEMBL20204815 0.82 HTR1A (0.47) RIPK1
SCHEMBL21325097 0.81 CNR2 (0.39) CNR2
SCHEMBL21325226 0.81 RIPK1 (0.40) RIPK1CNR2HTR2CHTR2B
SCHEMBL20201732 0.79 DCPS (0.38) DCPSRIPK1SCN9AHTR2CHTR2B
SCHEMBL18122083 0.79 MAPT (0.53) KMORIPK1CNR2
SCHEMBL20201737 0.77 CNR2 (0.40) KMOCNR2SCN9A
SCHEMBL1814155 0.76 KMO (0.43) KMOCNR2SCN9A
SCHEMBL4445968 0.74 KMO (0.39) KMOCNR2SCN9A
SCHEMBL1814275 0.74 LMNA (0.40) KMOCNR2SCN9A

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