SCHEMBL9757638

SCHEMBL9757638

C=CCN(CC=C)c1cc(N(CC=C)CC=C)c(N(CC=C)CC=C)cc1N(CC=C)CC=C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.34
OPRD1 P41143 4/20 0.34
OPRK1 P41145 4/20 0.34
CHKA P35790 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CRHR1 P34998 2/20 0.32
PYCR1 P32322 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
SCHEMBL11135325 0.78 OPRM1 (0.41) OPRM1OPRD1OPRK1CHKAGRIN2D
SCHEMBL9450404 0.78 ALDH1A1 (0.37) OPRM1OPRD1OPRK1CHKAGRIN2D
SCHEMBL9160128 0.78 ALDH1A1 (0.37) OPRM1OPRD1OPRK1CHKAGRIN2D
SCHEMBL1509676 0.74 KDM4E (0.45) OPRM1OPRD1OPRK1CHKAGRIN2D
SCHEMBL10694157 0.74 CHKA (0.41) OPRM1OPRD1OPRK1CHKAGRIN2D
SCHEMBL1509825 0.73 KDM4E (0.39) OPRM1OPRD1OPRK1CHKAGRIN2D
SCHEMBL9861522 0.71 ALDH1A1 (0.42) OPRM1OPRD1OPRK1ALDH1A1LMNA
SCHEMBL1688846 0.71 CRHR1 (0.40) OPRK1ALDH1A1LMNAMAPTMAPK1
SCHEMBL1509706 0.71 C5AR1 (0.32) OPRM1OPRD1OPRK1
SCHEMBL4557934 0.71 ALDH1A1 (0.46) ALDH1A1LMNAMAPT

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
US-4999441-A Tetrakis(dialkylamino)aromatics and their charge transfer complexes MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 1991-03-12 US claimed
EP-0260646-A2 Tetrakis (dialkylamino) aromatics and their charge transfer complexes Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1988-03-23 EP claimed