SCHEMBL20206933

SCHEMBL20206933

CNC(C)(C)c1ccc(F)c(OCC2CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 8/20 0.50
▸ RIPK1 Q13546 1/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ GRM2 Q14416 1/20 0.39
▸ HTR2A P28223 2/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ HTR2B P41595 2/20 0.38
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ SCN9A Q15858 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
SCHEMBL20347946 0.85 DUT (0.46) DUTRIPK1IDO1TDO2GRM2
SCHEMBL21325419 0.83 DUT (0.58) DUTSCN9A
SCHEMBL1409593 0.83 DUT (0.45) DUTRIPK1IDO1TDO2GRM2
SCHEMBL21325251 0.83 DUT (0.45) DUTRIPK1IDO1TDO2GRM2
SCHEMBL22414494 0.82 DUT (0.45) DUTRIPK1IDO1TDO2GRM2
SCHEMBL2304488 0.81 SCN8A (0.43) DUTRIPK1IDO1GRM2HTR2A
SCHEMBL20188354 0.80 DUT (0.43) DUTRIPK1IDO1TDO2GRM2
SCHEMBL20347951 0.80 DUT (0.42) DUTRIPK1GRM2SCN9A
SCHEMBL20202148 0.80 GRM2 (0.43) DUTRIPK1GRM2HTR2AHTR2C
SCHEMBL16891348 0.80 DUT (0.46) DUTRIPK1IDO1TDO2GRM2

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-2018098204-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 — — WO disclosed
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