SCHEMBL7320451

SCHEMBL7320451

Cc1cccc(C2(OC[C@@H](N)C(=O)O)c3ccccc3Oc3ccccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 11/20 0.40
SLC6A1 P30531 1/20 0.38
SLC1A5 Q15758 2/20 0.37
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HCAR2 Q8TDS4 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33

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
SCHEMBL7322275 1.00 KIF11 (0.40) KIF11SLC6A1SLC1A5LMNANPSR1
SCHEMBL7317519 0.88 SLC6A1 (0.46) KIF11SLC6A1SLC1A5SLC1A3SLC1A2
SCHEMBL7314653 0.88 SLC6A1 (0.46) KIF11SLC6A1SLC1A5SLC1A3SLC1A2
SCHEMBL7326447 0.87 KIF11 (0.47) KIF11SLC6A1SLC1A5LMNANPSR1
SCHEMBL7311726 0.87 KIF11 (0.47) KIF11SLC6A1SLC1A5
SCHEMBL7318344 0.87 KIF11 (0.47) KIF11SLC6A1SLC1A5
SCHEMBL7314762 0.85 KIF11 (0.51) KIF11SLC1A5
SCHEMBL7323248 0.84 KIF11 (0.40) KIF11SLC1A5LMNANPSR1EDNRB
SCHEMBL7313387 0.81 KIF11 (0.47) KIF11SLC6A1SLC1A5
SCHEMBL7322735 0.80 NPSR1 (0.36) KIF11SLC6A1SLC1A5LMNANPSR1

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-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