SCHEMBL7125488

SCHEMBL7125488

N#CCCCCN(CCCCC#N)CCc1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 10/20 0.42
OPRM1 P35372 9/20 0.42
OPRD1 P41143 8/20 0.42
DRD2 P14416 5/20 0.42
DRD3 P35462 5/20 0.42
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA4 P22748 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL7006146 0.82 ESR1 (0.53) ESR1ESR2CA2CYP3A4HIF1A
SCHEMBL2554097 0.80 ESR1 (0.54) ESR1ESR2CA2CYP3A4HIF1A
SCHEMBL8987565 0.78 KCNH2 (0.46)
SCHEMBL450038 0.76 ESR1 (0.59) ESR1ESR2CA2CYP3A4HIF1A
SCHEMBL1204926 0.74 DRD2 (0.65) OPRK1OPRM1OPRD1DRD2DRD3
SCHEMBL7128508 0.74 OPRM1 (0.47) OPRK1OPRM1OPRD1DRD2DRD3
SCHEMBL23389008 0.73 LCK (0.54) CYP3A4TSHRHIF1A
SCHEMBL17451526 0.71 LCK (0.52) CYP3A4TSHRHIF1A
SCHEMBL8035581 0.71 LCK (0.52) CYP3A4TSHRHIF1A
Hydrochloric Acid SCHEMBL7237096 0.70 ESR1 (0.58) OPRK1OPRM1OPRD1DRD2DRD3

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