SCHEMBL20188354

SCHEMBL20188354

C[C@](O)(CCN)c1ccc(F)c(OCC2CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 7/20 0.43
▸ HTR2C P28335 5/20 0.41
▸ HTR2B P41595 4/20 0.41
▸ HTR2A P28223 3/20 0.41
▸ IDO1 P14902 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ RIPK1 Q13546 1/20 0.38
▸ GRM2 Q14416 1/20 0.37
▸ CNR2 P34972 1/20 0.37

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
SCHEMBL16891348 0.87 DUT (0.46) DUTHTR2CHTR2BHTR2AIDO1
SCHEMBL21325251 0.85 DUT (0.45) DUTHTR2CHTR2BHTR2AIDO1
SCHEMBL15864648 0.84 DUT (0.39) DUTHTR2CHTR2BHTR2AIDO1
SCHEMBL1409593 0.82 DUT (0.45) DUTHTR2CHTR2BHTR2AIDO1
SCHEMBL20347946 0.82 DUT (0.46) DUTHTR2CHTR2BHTR2AIDO1
SCHEMBL21315522 0.81 DUT (0.50) DUTHTR2CHTR2BHTR2AIDO1
SCHEMBL20188353 0.81 DUT (0.50) DUTHTR2CHTR2BHTR2AIDO1
SCHEMBL20206933 0.80 DUT (0.50) DUTHTR2CHTR2BHTR2AIDO1
SCHEMBL20204783 0.80 DUT (0.53) DUTIDO1TDO2RIPK1GRM2
SCHEMBL22414494 0.79 DUT (0.45) DUTHTR2CHTR2BHTR2AIDO1

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
Send feedback