SCHEMBL7326222

SCHEMBL7326222

C[C@@H](OC1(c2ccc(F)cc2)c2ccccc2Oc2ccccc21)[C@H](N)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.39
SLC6A1 P30531 1/20 0.33
SLC1A3 P43003 4/20 0.32
SLC1A2 P43004 4/20 0.32
SLC1A1 P43005 4/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
P2RX4 Q99571 1/20 0.30
NPC1 O15118 1/20 0.30
GRM2 Q14416 1/20 0.30

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
SCHEMBL7326219 1.00 KIF11 (0.39) KIF11SLC6A1SLC1A3SLC1A2SLC1A1
SCHEMBL7322674 0.92 SLC6A1 (0.38) KIF11SLC6A1SLC1A3SLC1A2SLC1A1
SCHEMBL7322679 0.92 SLC6A1 (0.38) KIF11SLC6A1SLC1A3SLC1A2SLC1A1
SCHEMBL7319245 0.92 SLC6A1 (0.38) KIF11SLC6A1SLC1A3SLC1A2SLC1A1
SCHEMBL7319255 0.92 SLC6A1 (0.38) KIF11SLC6A1SLC1A3SLC1A2SLC1A1
SCHEMBL7323278 0.87 KIF11 (0.49) KIF11SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL7323274 0.87 KIF11 (0.49) KIF11SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL7322744 0.82 NPSR1 (0.36) KIF11SLC6A1SLC1A3SLC1A2SLC1A1
SCHEMBL7322735 0.82 NPSR1 (0.36) KIF11SLC6A1SLC1A3SLC1A2SLC1A1
SCHEMBL7313387 0.78 KIF11 (0.47) KIF11SLC6A1CYP1A2CYP2C19

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