Sugi Predict

Sugi Predict / Compounds / SCHEMBL4778895

SCHEMBL4778895

SCHEMBL4778895

O=C(N[C@@H](c1cccc(-c2cncnc2)c1)[C@@H]1CCCN1)c1cccc(C(F)(F)F)c1Cl

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 12/20 0.70
▸ MAPK1 P28482 4/20 0.42
▸ CTSS P25774 3/20 0.41
▸ CTSK P43235 2/20 0.40
▸ P2RX7 Q99572 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
SCHEMBL4778901 1.00 SLC6A9 (0.70) SLC6A9MAPK1CTSSCTSKP2RX7
SCHEMBL4781578 0.97 SLC6A9 (0.75) SLC6A9MAPK1CTSSCTSKP2RX7
SCHEMBL4781583 0.97 SLC6A9 (0.75) SLC6A9MAPK1CTSSCTSKP2RX7
SCHEMBL4781588 0.97 SLC6A9 (0.75) SLC6A9MAPK1CTSSCTSKP2RX7
SCHEMBL4781397 0.93 SLC6A9 (0.68) SLC6A9MAPK1CTSSCTSKP2RX7
SCHEMBL4781390 0.93 SLC6A9 (0.68) SLC6A9MAPK1CTSSCTSKP2RX7
SCHEMBL4782505 0.91 SLC6A9 (0.72) SLC6A9MAPK1CTSSP2RX7
SCHEMBL4782486 0.91 SLC6A9 (0.72) SLC6A9MAPK1CTSSP2RX7
SCHEMBL4782501 0.91 SLC6A9 (0.72) SLC6A9MAPK1CTSSP2RX7
SCHEMBL8213192 0.89 SLC6A9 (0.77) SLC6A9MAPK1CTSSCTSKP2RX7

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