SCHEMBL7461565

SCHEMBL7461565

NCC1CC2CCC(C1)C2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
NCF1 P14598 1/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33
PLG P00747 1/20 0.33
PLAT P00750 1/20 0.33
LMNA P02545 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
SCHEMBL18633989 0.88 NCF1 (0.39) EPHX2NCF1CYP3A4CYP2C9CYP2C19
SCHEMBL26708892 0.77 NCF1 (0.39) EPHX2NCF1PLGPLATLMNA
SCHEMBL19288569 0.77 GRIN2D (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23465669 0.75
SCHEMBL199930 0.75 EPHX2 (0.52) EPHX2NCF1PLGPLATLMNA
SCHEMBL19683021 0.75 EPHX2 (0.54) EPHX2NCF1CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL30925174 0.72 EPHX2 (0.50) EPHX2NCF1PLGPLATLMNA
SCHEMBL24494871 0.71
SCHEMBL23926890 0.71
SCHEMBL136714 0.71

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-2017075522-A2 GLP-2 POLYPEPTIDES WITH IMPROVED PROTEOLYTIC STABILITY, AND METHODS OF PREPARING AND USING SAME TUFTS UNIVERSITY (US) 2017-05-04 WO disclosed
EP-1021442-B1 8-AZABICYCLO 3.2.1] OCTANE-3-METHANAMINE DERIVATIVES AS LIGANDS OF D2 AND D3 DOPAMINE AND 5HT1A AND 5HT2 SEROTONIN RECEPTORS SANOFI SYNTHELABO (FR) 2002-01-30 EP disclosed