SCHEMBL9418484

SCHEMBL9418484

C=CCN(CC=C)Cc1cccc(CN(CC=C)CC=C)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.47
GABRB2 P47870 3/20 0.47
OPRM1 P35372 4/20 0.46
OPRD1 P41143 4/20 0.46
OPRK1 P41145 4/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
APAF1 O14727 1/20 0.39
NSD2 O96028 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
BCHE P06276 3/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38

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
SCHEMBL11667015 0.82 ALDH1A1 (0.56) OPRM1OPRD1OPRK1ALDH1A1LMNA
SCHEMBL4942839 0.82 ALDH1A1 (0.53) OPRM1OPRD1OPRK1ALDH1A1LMNA
SCHEMBL5820317 0.78 APAF1 (0.51) GABRA1GABRB2OPRM1OPRD1OPRK1
SCHEMBL9418482 0.78 OPRM1 (0.41) OPRM1OPRD1OPRK1ALDH1A1LMNA
SCHEMBL18868170 0.77 ALDH1A1 (0.42) GABRA1GABRB2OPRM1OPRD1OPRK1
SCHEMBL9286785 0.76 AMY1A (0.39) OPRM1OPRD1OPRK1ALDH1A1LMNA
SCHEMBL11266199 0.74 GABRA1 (0.56) GABRA1GABRB2ALDH1A1LMNAHTT
SCHEMBL5823545 0.74 ALDH1A1 (0.56) GABRA1GABRB2OPRM1OPRD1OPRK1
SCHEMBL10974173 0.73 ALDH1A1 (0.49) OPRM1OPRD1OPRK1ALDH1A1LMNA
SCHEMBL15919224 0.73 ALDH1A1 (0.49) OPRK1ALDH1A1LMNAHTTBCHE

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-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