SCHEMBL2046316

SCHEMBL2046316

CCN(OC(C)(CC(C)C)CC(C)C)C(C)(C)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.34
GRIN2A Q12879 6/20 0.34
GRIN2D O15399 5/20 0.34
GRIN2C Q14957 5/20 0.34
GRIN2B Q13224 4/20 0.34
OPRM1 P35372 2/20 0.33
KCNH2 Q12809 2/20 0.33
CACNA1F O60840 1/20 0.33
ABCB1 P08183 1/20 0.33
CYP2B6 P20813 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 1/20 0.33
MRGPRX2 Q96LB1 1/20 0.33
MAPT P10636 2/20 0.33
CHRM2 P08172 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
Hydrochloric Acid SCHEMBL11653795 0.71 MEN1 (0.39) CYP2B6MAPTCHRM2CHRM4CHRM5
SCHEMBL23374742 0.67 CYP2D6 (0.46) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL2012096 0.67 CACNA1F (0.33) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
Hydrochloric Acid SCHEMBL23246320 0.66 GABRA1 (0.33) MAPTCYP2D6CYP2C19MEN1KMT2A
Hydrochloric Acid SCHEMBL754670 0.66 CACNA1F (0.33) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL6277129 0.66 TAAR1 (0.43) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL28432834 0.66 TAAR1 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6681969 0.66 TAAR1 (0.54) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL1538339 0.66 TAAR1 (0.43) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL481608 0.65 MAPK1 (0.46) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B

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
EP-2509584-B1 PHARMACEUTICAL COMPOSITION FOR TREATING CUTANEOUS BURNS 45 SEC LLC (US) 2014-02-19 EP disclosed
EP-2509584-A1 PHARMACEUTICAL COMPOSITION FOR TREATING CUTANEOUS BURNS 45 Sec. LLC (US) 2012-10-17 EP disclosed
WO-2011070168-A1 PHARMACEUTICAL COMPOSITION FOR TREATING CUTANEOUS BURNS DEBETENCOURT JEAN-JACQUES (GB) 2011-06-16 WO disclosed