SCHEMBL4781634

SCHEMBL4781634

CN1CCCC[C@H]1[C@@H](NC(=O)c1cccc(C(F)(F)F)c1Cl)c1cccc(-c2cncnc2)c1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 14/20 0.75
P2RX7 Q99572 4/20 0.44
CTSS P25774 1/20 0.42

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
SCHEMBL4781647 1.00 SLC6A9 (0.75) SLC6A9P2RX7CTSS
SCHEMBL4779198 0.94 SLC6A9 (0.74) SLC6A9P2RX7
SCHEMBL4779206 0.94 SLC6A9 (0.74) SLC6A9P2RX7
SCHEMBL4775911 0.92 SLC6A9 (0.75) SLC6A9P2RX7CTSS
SCHEMBL4775901 0.92 SLC6A9 (0.75) SLC6A9P2RX7CTSS
SCHEMBL8220778 0.92 SLC6A9 (0.86) SLC6A9P2RX7CTSS
SCHEMBL4794433 0.90 SLC6A9 (0.73) SLC6A9P2RX7CTSS
SCHEMBL4794430 0.90 SLC6A9 (0.73) SLC6A9P2RX7CTSS
Hydrochloric Acid SCHEMBL4797273 0.90 SLC6A9 (0.72) SLC6A9P2RX7CTSS
Hydrochloric Acid SCHEMBL4797266 0.90 SLC6A9 (0.72) SLC6A9P2RX7CTSS

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