SCHEMBL7130765

SCHEMBL7130765

CC(CN)CCN(CCc1ccc(O)cc1)CCC(C)CN

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 8/20 0.48
OPRM1 P35372 7/20 0.48
OPRD1 P41143 7/20 0.48
KDM4E B2RXH2 2/20 0.47
TAAR1 Q96RJ0 4/20 0.44
SLC6A2 P23975 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR3A P46098 1/20 0.44
BACE1 P56817 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL7128508 0.76 OPRM1 (0.47) OPRK1OPRM1OPRD1KDM4EALDH1A1
SCHEMBL1204926 0.73 DRD2 (0.65) OPRK1OPRM1OPRD1KDM4ESLC6A2
SCHEMBL10662260 0.71 TAAR1 (0.63) OPRK1OPRD1KDM4ETAAR1SLC6A2
SCHEMBL6143092 0.71 ESR1 (0.54) OPRK1OPRM1OPRD1KDM4ETAAR1
SCHEMBL896162 0.67 SLC6A2 (0.63) OPRK1OPRM1KDM4ETAAR1SLC6A2
SCHEMBL44507 0.67 SLC6A2 (0.63) OPRK1OPRM1KDM4ETAAR1SLC6A2
SCHEMBL895572 0.67 SLC6A2 (0.63) OPRK1OPRM1KDM4ETAAR1SLC6A2
SCHEMBL7078443 0.67 DRD2 (0.56) OPRK1OPRM1OPRD1KDM4ESLC6A2
SCHEMBL104626 0.67 ESR1 (0.59) OPRK1OPRM1KDM4ETAAR1SLC6A2
Hordenine SCHEMBL19896488 0.67 HRH3 (0.67) KDM4ETAAR1SLC6A2ALDH1A1HTR1A

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