SCHEMBL9418482

SCHEMBL9418482

C=CCN(CC=C)Cc1cc(CN(CC=C)CC=C)c(O)c(CN(CC=C)CC=C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.41
OPRD1 P41143 4/20 0.41
OPRK1 P41145 4/20 0.41
ALOX15 P16050 2/20 0.40
CYP2C9 P11712 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 4/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 1/20 0.38
BCHE P06276 3/20 0.35
PYCR1 P32322 1/20 0.34
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
APAF1 O14727 1/20 0.33
NSD2 O96028 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
SCHEMBL6421197 0.91 OPRM1 (0.38) OPRM1OPRD1OPRK1HTTALDH1A1
SCHEMBL10497172 0.84 ALDH1A1 (0.53) ALOX15CYP2C9HSD17B10HTTALDH1A1
SCHEMBL11141204 0.83 PYCR1 (0.41) OPRM1OPRD1OPRK1HTTALDH1A1
SCHEMBL9286785 0.82 AMY1A (0.39) OPRM1OPRD1OPRK1ALOX15CYP2C9
SCHEMBL9418481 0.81 XDH (0.44) OPRM1OPRD1OPRK1HTTALDH1A1
SCHEMBL11142223 0.80 PYCR1 (0.38) OPRM1OPRD1OPRK1HTTALDH1A1
SCHEMBL11635696 0.80 APAF1 (0.38) OPRM1OPRD1OPRK1HTTALDH1A1
SCHEMBL9418484 0.78 GABRA1 (0.47) OPRM1OPRD1OPRK1HTTALDH1A1
SCHEMBL11142858 0.78 PYCR1 (0.43) OPRM1OPRD1OPRK1HTTALDH1A1
SCHEMBL5823545 0.77 ALDH1A1 (0.56) OPRM1OPRD1OPRK1HTTALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0469811-B1 Accelerators for curing phenolic resole resins BORDEN INC (US) 1994-11-30 EP claimed
US-5294649-A Hardening agent of magnesioum hydroxide or lightburned magnesium oxide and promoter of a nitrogen-containing heterocyclic compound BORDEN, INC. (US) 1994-03-15 US claimed
EP-0469811-A2 Accelerators for curing phenolic resole resins Borden, Inc. (US) 1992-02-05 EP claimed
US-5106943-A Molding materials; blend of trimer of polyisocyanate, epoxy compounds, and aromatic polyamine TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-21 US disclosed