SCHEMBL7700344

SCHEMBL7700344

NC(=O)C1CN(CC(=O)Nc2c(Cl)cccc2Cl)CCN1CCCC(c1ccc(F)cc1)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 2/20 0.61
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 3/20 0.50
HTR2A P28223 3/20 0.50
ADRA1A P35348 3/20 0.50
HRH1 P35367 3/20 0.50
DRD3 P35462 3/20 0.50
OPRD1 P41143 3/20 0.50
OPRK1 P41145 3/20 0.50
SLC6A3 Q01959 3/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
USP2 O75604 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
DRD2 P14416 2/20 0.50
MLNR O43193 1/20 0.50
NR1I2 O75469 1/20 0.50
CYP1A2 P05177 1/20 0.50
PGR P06401 1/20 0.50

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
Hydrochloric Acid SCHEMBL30720033 0.99 SLC29A1 (0.60) SLC29A1MEN1KMT2ALMNAHTR2A
Hydrochloric Acid SCHEMBL7705419 0.98 SLC29A1 (0.59) SLC29A1MEN1KMT2ALMNAHTR2A
Mioflazine SCHEMBL611300 0.92 SLC29A1 (0.68) SLC29A1MEN1KMT2ALMNAHTR2A
Mioflazine SCHEMBL124029 0.92 SLC29A1 (0.70) SLC29A1MEN1KMT2ALMNAHTR2A
Mioflazine SCHEMBL8675598 0.91 SLC29A1 (0.69) SLC29A1MEN1KMT2ALMNAHTR2A
SCHEMBL10459776 0.91 SLC29A1 (0.65) SLC29A1MEN1KMT2ALMNAHTR2A
Mioflazine SCHEMBL119416 0.91 SLC29A1 (0.68) SLC29A1MEN1KMT2ALMNAHTR2A
Hydrochloric Acid SCHEMBL10459779 0.90 SLC29A1 (0.63) SLC29A1MEN1KMT2ALMNAHTR2A
SCHEMBL10681498 0.86 SLC29A1 (0.60) SLC29A1MEN1KMT2ALMNAHTR2A
Hydrochloric Acid SCHEMBL10678583 0.83 SLC29A1 (0.81) SLC29A1MEN1KMT2ALMNAHTR2A

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
US-6403589-B1 NUCLEOSIDE TRANSPORT INHIBITOR JANSSEN PHARMACEUTICA N.V. (BE) 2002-06-11 US disclosed
EP-0999840-A1 USE OF DRAFLAZINE-ANALOGUES FOR TREATING PAIN JANSSEN PHARMACEUTICA N.V. (BE) 2000-05-17 EP disclosed
WO-1998057643-A1 USE OF DRAFLAZINE-ANALOGUES FOR TREATING PAIN JANSSEN PHARMACEUTICA N.V. (BE) 1998-12-23 WO disclosed