SCHEMBL4798581

SCHEMBL4798581

C=CCN1CCCC[C@H]1C(NC(=O)c1cccc(C(F)(F)F)c1Cl)c1cccc(-c2cnn(C)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 13/20 0.58
P2RX7 Q99572 1/20 0.40
CTSS P25774 3/20 0.38
CTSK P43235 2/20 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
SCHEMBL4798569 1.00 SLC6A9 (0.58) SLC6A9P2RX7CTSSCTSK
SCHEMBL4726149 0.90 SLC6A9 (0.57) SLC6A9P2RX7CTSSCTSK
SCHEMBL4726153 0.90 SLC6A9 (0.57) SLC6A9P2RX7CTSSCTSK
SCHEMBL4794430 0.89 SLC6A9 (0.73) SLC6A9P2RX7CTSSCTSK
SCHEMBL4794433 0.89 SLC6A9 (0.73) SLC6A9P2RX7CTSSCTSK
Hydrochloric Acid SCHEMBL4797273 0.88 SLC6A9 (0.72) SLC6A9P2RX7CTSSCTSK
Hydrochloric Acid SCHEMBL4797266 0.88 SLC6A9 (0.72) SLC6A9P2RX7CTSSCTSK
SCHEMBL8222813 0.88 SLC6A9 (0.58) SLC6A9CTSSCTSK
SCHEMBL4792333 0.86 SLC6A9 (0.62) SLC6A9P2RX7CTSSCTSK
SCHEMBL4798257 0.86 SLC6A9 (0.62) SLC6A9P2RX7CTSSCTSK

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