SCHEMBL21903007

SCHEMBL21903007

O=C[C@@H]1CN(Cc2cnc(Oc3c(F)cccc3F)nc2)CCO1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 13/20 0.66
RXRB P28702 2/20 0.45
DRD4 P21917 5/20 0.40

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
SCHEMBL21902082 0.93 GRIN2B (0.69) GRIN2BRXRBDRD4
SCHEMBL21902079 0.84 GRIN2B (0.64) GRIN2BDRD4
SCHEMBL21941274 0.82 GRIN2B (0.56) GRIN2BRXRBDRD4
SCHEMBL24713396 0.79 GRIN2B (1.00) GRIN2BRXRB
SCHEMBL21903004 0.79 GRIN2B (1.00) GRIN2BRXRB
SCHEMBL13039064 0.76 DRD4 (0.42) GRIN2BRXRBDRD4
SCHEMBL21906400 0.76 RXRB (0.70) GRIN2BRXRBDRD4
SCHEMBL21902081 0.75 GRIN2B (1.00) GRIN2BRXRB
SCHEMBL21941810 0.74 GRIN2B (0.49) GRIN2BRXRBDRD4
SCHEMBL1947037 0.73 DRD4 (0.57) DRD4

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-2020079040-A1 4-PYRIMIDIN-5-YLMETHYL-MORPHOLINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-04-23 WO disclosed