SCHEMBL3817439

SCHEMBL3817439

CCN(CC)CCOCCc1cccc2ccsc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDYL Q9Y232 1/20 0.41
KDM4E B2RXH2 4/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
CYP19A1 P11511 1/20 0.36
ADRB2 P07550 2/20 0.35
DRD3 P35462 2/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
CHRM2 P08172 4/20 0.35
CHRM1 P11229 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DAO P14920 1/20 0.34
SLC22A1 O15245 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
THRB P10828 1/20 0.34

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
Oxalic Acid SCHEMBL3810442 0.93 KDM4E (0.49) CDYLKDM4EHTR2AADRB2CHRM2
SCHEMBL3807756 0.86 HTR2A (0.38) KDM4EHTR2AHTR2CCYP19A1ADRB2
Hydrochloric Acid SCHEMBL6773406 0.85 OPRM1 (0.38) KDM4EHTR2AHTR2CCYP19A1ADRB2
SCHEMBL3815489 0.81 ALDH1A1 (0.48) KDM4EHTR2AHTR2CCYP19A1DAO
Hydrochloric Acid SCHEMBL3817934 0.80 ALDH1A1 (0.47) KDM4EHTR2AHTR2CCYP19A1DAO
SCHEMBL3809768 0.78 CYP19A1 (0.43) CDYLKDM4ECYP19A1DRD3DRD2
SCHEMBL3813478 0.77 CDYL (0.64) CDYLKDM4EHTR2AADRB2DRD3
SCHEMBL3816452 0.77 TSHR (0.42) KDM4EHTR2AHTR2CSMN1; SMN2DAO
SCHEMBL14492374 0.77 ALDH1A1 (0.35) KDM4EHTR2AHTR2CDAOALDH1A1
SCHEMBL3808287 0.76 KDM4E (0.33) KDM4EDRD3CHRM2CHRM1SMN1; SMN2

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-1186594-B1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO LTD (JP) 2009-08-05 EP disclosed
US-6797726-B1 N-alkoxyalkyl-N,N-dialkylamine derivatives or salts thereof, and remedies for nerve degeneration diseases containing the same TOYAMA CHEMICAL CO., LTD. (JP) 2004-09-28 US disclosed
EP-1186594-A1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 2002-03-13 EP disclosed