SCHEMBL15864648

SCHEMBL15864648

C[C@](O)(CCN=[N+]=[N-])c1ccc(F)c(OCC2CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 7/20 0.39
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ RIPK1 Q13546 1/20 0.34
▸ GRM2 Q14416 3/20 0.34
▸ HTR2C P28335 3/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ SLC6A4 P31645 1/20 0.32
▸ CNR2 P34972 1/20 0.32

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
SCHEMBL20188354 0.84 DUT (0.43) DUTIDO1TDO2RIPK1GRM2
SCHEMBL16891348 0.82 DUT (0.46) DUTIDO1TDO2RIPK1GRM2
SCHEMBL17492963 0.81 DUT (0.47) DUTIDO1TDO2GRM2
SCHEMBL15864646 0.81 DUT (0.47) DUTIDO1TDO2GRM2
SCHEMBL29363809 0.81 DUT (0.47) DUTIDO1TDO2GRM2
SCHEMBL21325251 0.80 DUT (0.45) DUTIDO1TDO2RIPK1GRM2
SCHEMBL13460387 0.80 DUT (0.37) DUTIDO1TDO2GRM2
SCHEMBL20188078 0.80 DUT (0.41) DUTIDO1TDO2RIPK1GRM2
SCHEMBL20347946 0.77 DUT (0.46) DUTIDO1TDO2RIPK1GRM2
SCHEMBL20204783 0.75 DUT (0.53) DUTIDO1TDO2RIPK1GRM2

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 5 patents. 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
EP-3089964-A1 HETEROATOM CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS University Of Southern California (US) 2016-11-09 — — EP disclosed
EP-2941423-A1 DEOXYURIDINE TRIPHOSPHATASE INHIBITORS University of Southern California (US) 2015-11-11 — — EP disclosed
WO-2015103489-A1 HETEROATOM CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2015-07-09 — — WO disclosed
WO-2014107622-A1 DEOXYURIDINE TRIPHOSPHATASE INHIBITORS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2014-07-10 — — WO disclosed
Send feedback