SCHEMBL8318328

SCHEMBL8318328

O[C@@H]1CCN(c2ccccn2)C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 1/20 0.50
CHI3L1 P36222 1/20 0.48
GRM1 Q13255 2/20 0.48
GRIN2B Q13224 2/20 0.47
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
USP30 Q70CQ3 1/20 0.46
PDE10A Q9Y233 1/20 0.46
GPR119 Q8TDV5 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL6403047 1.00 PLD1 (0.50) PLD1CHI3L1GRM1GRIN2BGRIN2D
SCHEMBL29505439 0.90 GRM1 (0.49) PLD1GRM1KDM4E
SCHEMBL1245662 0.89 PLD1 (0.58) PLD1CHI3L1GPR119KDM4E
Trifluoroacetic Acid SCHEMBL4749328 0.87 DPP4 (0.60) GRM1GPR119KDM4E
SCHEMBL2294733 0.85 GRIN2B (0.55) PLD1GRM1GRIN2BGRIN2DGRIN3B
SCHEMBL30937159 0.85 GRIN2B (0.55) PLD1GRM1GRIN2BGRIN2DGRIN3B
SCHEMBL30146719 0.85 PDE10A (0.41) CHI3L1GRM1PDE10A
SCHEMBL16474292 0.81 PLD1 (0.51) PLD1GRM1GRIN2BGRIN2DGRIN3B
SCHEMBL23875675 0.79 GRM1 (0.51) PLD1GRM1GRIN2BGRIN2DGRIN3B
SCHEMBL8091809 0.79 GRM1 (0.51) PLD1GRM1GRIN2BGRIN2DGRIN3B

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
US-5919782-A CONTAINING A 2,4-DIOXOTRIAZOLIDINE RING DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-07-06 US disclosed
EP-0923580-A1 THIAZOLIDINEDIONE COMPOUNDS HAVING ANTIDIABETIC, HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-06-23 EP disclosed
WO-1997041120-A1 THIAZOLIDINEDIONE COMPOUNDS HAVING ANTIDIABETIC, HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF DR. REDDY'S RESEARCH FOUNDATION (IN) 1997-11-06 WO disclosed