SCHEMBL4726153

SCHEMBL4726153

C=CCN1CCCC[C@H]1C(NC(=O)c1cccc(C(F)(F)F)c1Cl)c1cccc(-c2cncnc2)c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 11/20 0.57
CTSS P25774 2/20 0.39
CTSK P43235 1/20 0.39
P2RX7 Q99572 5/20 0.38

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
SCHEMBL4726149 1.00 SLC6A9 (0.57) SLC6A9CTSSCTSKP2RX7
SCHEMBL4798581 0.90 SLC6A9 (0.58) SLC6A9CTSSCTSKP2RX7
SCHEMBL4798569 0.90 SLC6A9 (0.58) SLC6A9CTSSCTSKP2RX7
SCHEMBL4778973 0.89 SLC6A9 (0.53) SLC6A9P2RX7
SCHEMBL4778969 0.89 SLC6A9 (0.53) SLC6A9P2RX7
SCHEMBL8222325 0.89 SLC6A9 (0.43) SLC6A9P2RX7
SCHEMBL8222813 0.89 SLC6A9 (0.58) SLC6A9CTSSCTSK
SCHEMBL4777842 0.88 SLC6A9 (0.61) SLC6A9CTSSCTSK
SCHEMBL4777838 0.88 SLC6A9 (0.61) SLC6A9CTSSCTSK
SCHEMBL4588331 0.88 SLC6A9 (0.73) SLC6A9CTSSCTSK

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-2008018639-A2 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 WO disclosed