SCHEMBL7128508

SCHEMBL7128508

CC(C#N)CCN(CCc1ccc(O)cc1)CCC(C)C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.47
OPRD1 P41143 6/20 0.47
OPRK1 P41145 6/20 0.47
KDM4E B2RXH2 2/20 0.46
DRD2 P14416 3/20 0.41
DRD3 P35462 3/20 0.41
DRD1 P21728 2/20 0.41
DRD4 P21917 2/20 0.41
DRD5 P21918 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ESR1 P03372 4/20 0.40
ESR2 Q92731 4/20 0.40

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
SCHEMBL7010381 0.83 ESR1 (0.48) OPRM1OPRK1KDM4EDRD2DRD3
SCHEMBL7130765 0.76 OPRK1 (0.48) OPRM1OPRD1OPRK1KDM4EESR1
SCHEMBL1204926 0.76 DRD2 (0.65) OPRM1OPRD1OPRK1KDM4EDRD2
SCHEMBL7125488 0.74 OPRK1 (0.42) OPRM1OPRD1OPRK1KDM4EDRD2
SCHEMBL14032395 0.72 ESR1 (0.58) CYP3A4ESR1ESR2MEN1ALDH1A1
SCHEMBL7011495 0.72 ESR1 (0.58) CYP3A4ESR1ESR2MEN1ALDH1A1
SCHEMBL6143092 0.70 ESR1 (0.54) OPRM1OPRD1OPRK1KDM4EDRD2
SCHEMBL7078443 0.69 DRD2 (0.56) OPRM1OPRD1OPRK1KDM4EDRD2
SCHEMBL7717163 0.69 TSHR (0.39) TSHRALDH1A1CYP1A2
SCHEMBL27534382 0.69 ESR1 (0.52) KDM4ECYP3A4HIF1AHSD17B10ESR1

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-2003043973-A2 AMINE PHENOLIC COMPOUNDS AND THEIR USE AS HARDENERS AND/OR ACCELERATORS IN EPOXY COATINGS SIGMA COATINGS B.V. (NL) 2003-05-30 WO disclosed
EP-1314716-A1 Amine phenolic compounds and their use as hardener and/or accelerators in epoxy coatings SIGMA COATINGS B.V. (NL) 2003-05-28 EP disclosed