SCHEMBL8213192

SCHEMBL8213192

O=C(N[C@@H](c1ccc(-c2cncnc2)cc1)[C@@H]1CCCCN1)c1cccc(C(F)(F)F)c1Cl

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 14/20 0.77
CTSS P25774 3/20 0.42
P2RX7 Q99572 1/20 0.42
CTSK P43235 2/20 0.41
MAPK1 P28482 1/20 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
SCHEMBL8224340 0.93 SLC6A9 (0.73) SLC6A9CTSSP2RX7
SCHEMBL4781583 0.92 SLC6A9 (0.75) SLC6A9CTSSP2RX7CTSKMAPK1
SCHEMBL4781578 0.92 SLC6A9 (0.75) SLC6A9CTSSP2RX7CTSKMAPK1
SCHEMBL4781588 0.92 SLC6A9 (0.75) SLC6A9CTSSP2RX7CTSKMAPK1
SCHEMBL8220931 0.91 SLC6A9 (0.89) SLC6A9CTSSCTSK
SCHEMBL4778901 0.89 SLC6A9 (0.70) SLC6A9CTSSP2RX7CTSKMAPK1
SCHEMBL4778895 0.89 SLC6A9 (0.70) SLC6A9CTSSP2RX7CTSKMAPK1
SCHEMBL4778720 0.88 SLC6A9 (0.71) SLC6A9P2RX7
SCHEMBL4778717 0.88 SLC6A9 (0.71) SLC6A9P2RX7
SCHEMBL4589243 0.87 SLC6A9 (1.00) 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