Sugi Predict

Sugi Predict / Compounds / SCHEMBL4795156

SCHEMBL4795156

SCHEMBL4795156

CCCn1cc(-c2cccc([C@H](NC(=O)c3cccc(C(F)(F)F)c3Cl)[C@@H]3CCCCN3)c2)cn1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 17/20 0.64
▸ CTSS P25774 2/20 0.39
▸ CTSK P43235 2/20 0.39
▸ CTSV O60911 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39

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
SCHEMBL4795142 1.00 SLC6A9 (0.64) SLC6A9CTSSCTSKCTSVCTSL
SCHEMBL4795151 1.00 SLC6A9 (0.64) SLC6A9CTSSCTSKCTSVCTSL
SCHEMBL4781763 0.94 SLC6A9 (0.66) SLC6A9CTSSCTSKCTSVCTSL
SCHEMBL4781754 0.94 SLC6A9 (0.66) SLC6A9CTSSCTSKCTSVCTSL
SCHEMBL4794579 0.92 SLC6A9 (0.69) SLC6A9
SCHEMBL4794575 0.92 SLC6A9 (0.69) SLC6A9
SCHEMBL4794833 0.91 SLC6A9 (0.64) SLC6A9CTSSCTSK
SCHEMBL4794836 0.91 SLC6A9 (0.64) SLC6A9CTSSCTSK
Hydrochloric Acid SCHEMBL4794871 0.91 SLC6A9 (0.68) SLC6A9
Hydrochloric Acid SCHEMBL4794867 0.91 SLC6A9 (0.68) SLC6A9

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