SCHEMBL17751111

SCHEMBL17751111

CC(C)(C)OC(=O)NCC[C@H]1CNc2ccc(O)cc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.44
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
EPHX2 P34913 1/20 0.40
MIF P14174 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
CA12 O43570 5/20 0.37
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
CA9 Q16790 5/20 0.37
DRD2 P14416 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
IDO1 P14902 2/20 0.35
EPHX1 P07099 1/20 0.35
BCHE P06276 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
SCHEMBL12696399 1.00 NQO2 (0.44) NQO2MTNR1AMTNR1BEPHX2MIF
SCHEMBL20505740 0.85 EPHX2 (0.50) MTNR1AMTNR1BEPHX2DRD2IDO1
SCHEMBL29572544 0.85 EPHX2 (0.50) MTNR1AMTNR1BEPHX2DRD2IDO1
SCHEMBL14493800 0.83 MTNR1A (0.45) NQO2MTNR1AMTNR1BNPSR1IDO1
SCHEMBL13686477 0.82 LATS1 (0.44) EPHX2MIFNPSR1IDO1EPHX1
SCHEMBL10175565 0.74 TRPV1 (0.50) NQO2MTNR1AMTNR1BTRPV1EPHX1
SCHEMBL14234588 0.73 EGFR (0.35)
SCHEMBL1161006 0.73 EPHX2 (0.38) EPHX2MIFDRD2
SCHEMBL1311096 0.71 MTNR1A (0.62) NQO2MTNR1AMTNR1B
SCHEMBL12369307 0.70 CHRNB2 (0.37) MIFDRD2

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
EP-2688883-B1 PYRIMIDINE DERIVATIVES NOVIGA RES AB (SE) 2016-05-18 EP disclosed