SCHEMBL9706154

SCHEMBL9706154

CCN(CC)CCOc1ccccc1OCCN(CC)CC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.67
DRD1 P21728 2/20 0.67
DRD2 P14416 1/20 0.67
ALDH1A1 P00352 2/20 0.66
KDM4E B2RXH2 5/20 0.61
LMNA P02545 1/20 0.61
BIRC5 O15392 1/20 0.59
HTR1B P28222 2/20 0.57
HTR1D P28221 1/20 0.57
CYP2D6 P10635 2/20 0.56
HTT P42858 2/20 0.56
CYP1A2 P05177 1/20 0.56
LTA4H P09960 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.51
EBP Q15125 3/20 0.49
SIGMAR1 Q99720 3/20 0.49
TSHR P16473 1/20 0.49
HTR7 P34969 1/20 0.48

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
Guaiactamine SCHEMBL25797 0.92 ALDH1A1 (0.78) DRD3DRD1DRD2ALDH1A1KDM4E
SCHEMBL8360708 0.88 DRD2 (0.64) DRD3DRD1DRD2ALDH1A1KDM4E
SCHEMBL28428684 0.88 DRD3 (0.59) DRD3DRD1DRD2ALDH1A1KDM4E
SCHEMBL11599883 0.88 DRD2 (0.55) DRD3DRD1DRD2ALDH1A1KDM4E
SCHEMBL14970711 0.87 DRD2 (0.71) DRD3DRD1DRD2ALDH1A1KDM4E
SCHEMBL20621345 0.87 HTR7 (0.69) DRD3DRD1DRD2ALDH1A1KDM4E
SCHEMBL2138 0.86 KDM4E (0.58) DRD3DRD1DRD2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL14966190 0.85 DRD2 (0.69) DRD3DRD1DRD2ALDH1A1KDM4E
SCHEMBL11600148 0.84 ALDH1A1 (0.68) DRD3DRD1DRD2ALDH1A1KDM4E
SCHEMBL2422374 0.84 ALDH1A1 (0.65) DRD3DRD1DRD2ALDH1A1KDM4E

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-0214852-B1 PERFLUOROAMINOETHERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-10-28 EP disclosed
US-5049670-A Pour point MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-09-17 US disclosed
US-4929725-A NONFLAMMABLE, HYDRAULIC FLUIDS MOORE GEORGE G I (US) 1990-05-29 US disclosed
US-4788339-A HIGH BOILING, LOW POUR POINT; HYDRAULIC FLUIDS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-11-29 US disclosed