SCHEMBL6633669

SCHEMBL6633669

CCC(C#N)(CC)CCP(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.43
LPAR3 Q9UBY5 3/20 0.35
LPAR2 Q9HBW0 1/20 0.35
TYMS P04818 1/20 0.33
LAP3 P28838 1/20 0.32
S1PR2 O95136 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
FDPS P14324 2/20 0.31
ALDH1A1 P00352 1/20 0.31
BBOX1 O75936 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
SCHEMBL7716776 0.88 LPAR3 (0.42) GRM4LPAR3LPAR2TYMSS1PR2
SCHEMBL3305001 0.78 LAP3 (0.34) LAP3FDPS
SCHEMBL7716025 0.72 LAP3 (0.34) LAP3FDPS
SCHEMBL3175383 0.71 GRM4 (0.60) GRM4LPAR3LPAR2TYMSLAP3
SCHEMBL7718940 0.71 LAP3 (0.38) LAP3
SCHEMBL11355558 0.69 GRM4 (0.42) GRM4LPAR3LPAR2TYMSALDH1A1
SCHEMBL9643758 0.69 GRM4 (0.50) GRM4LPAR3LPAR2TYMSFDPS
SCHEMBL7717190 0.68 FDPS (0.39) LAP3FDPS
SCHEMBL9023718 0.68 ALDH1A1 (0.45) ALDH1A1
SCHEMBL8538971 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047664-B1 NOVEL TRICYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2004-05-19 EP disclosed
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
EP-1047664-A1 NOVEL TRICYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 2000-11-02 EP disclosed
WO-1999036392-A1 NOVEL TRICYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 1999-07-22 WO disclosed
EP-0315399-B1 Quinoline derivatives, their use in the treatment of hypersensitive ailments and a pharmaceutical composition containing the same RHONE POULENC RORER INT (US) 1996-01-10 EP disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
US-4299943-A PRODUCED BY REACTING SILYL DIESTER OF A PENTAVALENT ORGANIC METAL ACID WITH A TETRAVALENT METAL OCCIDENTAL RESEARCH CORPORATION (US) 1981-11-10 US disclosed