SCHEMBL11209770

SCHEMBL11209770

CN(C)CCOc1cccc(OCCN(C)C)c1OCCN(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
HTR1B P28222 3/20 0.62
HTR7 P34969 4/20 0.61
DRD2 P14416 1/20 0.54
DRD1 P21728 1/20 0.54
DRD4 P21917 1/20 0.54
DRD5 P21918 1/20 0.54
CHRM2 P08172 2/20 0.52
LMNA P02545 1/20 0.52
CHRM1 P11229 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
ACHE P22303 1/20 0.52
KCNH2 Q12809 1/20 0.52
HIF1A Q16665 1/20 0.52
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
ADRB2 P07550 1/20 0.47

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
SCHEMBL7524818 0.89 HTR1B (0.56) ALDH1A1HTR1BHTR7DRD2DRD1
SCHEMBL7618492 0.88 ALDH1A1 (0.81) ALDH1A1HTR1BHTR7DRD2DRD1
SCHEMBL2138 0.80 KDM4E (0.58) ALDH1A1HTR1BDRD2DRD1CHRM2
SCHEMBL16938173 0.80 HTR1B (0.59) ALDH1A1HTR1BHTR7DRD2DRD1
SCHEMBL8819134 0.79 HTR7 (0.54) ALDH1A1HTR1BHTR7DRD2DRD1
SCHEMBL2456684 0.78 HTR7 (0.77) ALDH1A1HTR1BHTR7DRD2DRD1
SCHEMBL8352887 0.78 HTR7 (0.65) ALDH1A1HTR1BHTR7DRD2DRD1
SCHEMBL30862623 0.78 HTR7 (0.77) ALDH1A1HTR1BHTR7DRD2DRD1
SCHEMBL2459518 0.78 HTR7 (0.65) ALDH1A1HTR1BHTR7DRD2DRD1
SCHEMBL8379698 0.77 HTR1B (1.00) ALDH1A1HTR1BHTR7KDM4EADRB2

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
EP-0014745-B1 CURING AGENT FOR POLYEPOXIDES, CURABLE EPOXY RESIN COMPOSITIONS, HARDENED PRODUCTS THEREFROM AND PROCESS FOR CURING A POLYEPOXIDE DIAMOND SHAMROCK CORPORATION (US) 1983-05-25 EP disclosed
EP-0014745-A1 Curing agent for polyepoxides, curable epoxy resin compositions, hardened products therefrom and process for curing a polyepoxide DIAMOND SHAMROCK CORPORATION (US) 1980-09-03 EP disclosed