SCHEMBL20201732

SCHEMBL20201732

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 1/20 0.38
SCN9A Q15858 10/20 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
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
SCHEMBL20201736 0.86 DCPS (0.38) DCPSSCN9AHTR2AHTR2CHTR2B
SCHEMBL20204815 0.82 HTR1A (0.47) RIPK1
SCHEMBL21350488 0.81 PDE4B (0.36) HTR2AHTR2CHTR2BRIPK1
SCHEMBL20376259 0.81 RIPK1 (0.40) SCN9AHTR2AHTR2CHTR2BRIPK1
SCHEMBL765009 0.79 GRM2 (0.43) DCPSHTR2AHTR2CHTR2BRIPK1
SCHEMBL11962822 0.79 HTR2A (0.43) HTR2AHTR2CHTR2BRIPK1FFAR4
SCHEMBL20201734 0.79 KMO (0.39) DCPSSCN9AHTR2CHTR2BRIPK1
SCHEMBL20201698 0.77 HTR2A (0.36) DCPSSCN9AHTR2AHTR2CHTR2B
SCHEMBL13696463 0.76 RIPK1 (0.47) DCPSHTR2AHTR2CHTR2BRIPK1
SCHEMBL18373998 0.75 CNR2 (0.39) DCPSHTR2AHTR2CHTR2BRIPK1

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