SCHEMBL7322679

SCHEMBL7322679

C[C@H](OC1(c2ccccc2)c2ccccc2Oc2ccccc21)[C@@H](N)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 1/20 0.38
SLC1A3 P43003 5/20 0.35
SLC1A2 P43004 5/20 0.35
SLC1A1 P43005 5/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
P2RX4 Q99571 2/20 0.33
KIF11 P52732 2/20 0.33
GRM2 Q14416 3/20 0.33
GRM3 Q14832 1/20 0.32
CASR P41180 1/20 0.32
ALOX5 P09917 1/20 0.32

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
SCHEMBL7322674 1.00 SLC6A1 (0.38) SLC6A1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL7319245 1.00 SLC6A1 (0.38) SLC6A1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL7319255 1.00 SLC6A1 (0.38) SLC6A1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL7326222 0.92 KIF11 (0.39) SLC6A1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL7326219 0.92 KIF11 (0.39) SLC6A1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL7322735 0.90 NPSR1 (0.36) SLC6A1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL7322744 0.90 NPSR1 (0.36) SLC6A1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL7323867 0.85 KIF11 (0.44) SLC6A1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL7317362 0.85 KIF11 (0.44) SLC6A1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL7317367 0.85 KIF11 (0.44) SLC6A1SLC1A3SLC1A2SLC1A1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999041227-A1 TRICYCLIC COMPOUNDS AS GLYCINE TRANSPORT INHIBITORS ALLELIX NEUROSCIENCE, INC. (US) 1999-08-19 WO claimed
US-6162824-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS ALLELIX NEUROSCIENCE INC. 2000-12-19 US disclosed
WO-1999041227-A1 TRICYCLIC COMPOUNDS AS GLYCINE TRANSPORT INHIBITORS ALLELIX NEUROSCIENCE, INC. (US) 1999-08-19 WO disclosed