SCHEMBL7705435

SCHEMBL7705435

CNC(=O)C1CN(CC(=O)Nc2c(C)cc(C)cc2C)CCN1CCCC(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
HTR2A P28223 4/20 0.61
ADRA1A P35348 4/20 0.61
HRH1 P35367 4/20 0.61
DRD3 P35462 4/20 0.61
OPRK1 P41145 4/20 0.61
SLC6A3 Q01959 4/20 0.61
ADORA3 P0DMS8 3/20 0.61
OPRD1 P41143 3/20 0.61
SLC29A1 Q99808 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2D6 P10635 2/20 0.61
NR1I2 O75469 2/20 0.61
LMNA P02545 2/20 0.61
DRD2 P14416 2/20 0.61
MLNR O43193 1/20 0.61
USP2 O75604 1/20 0.61
CYP1A2 P05177 1/20 0.61
PGR P06401 1/20 0.61

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
SCHEMBL10685170 0.93 SLC6A3 (0.59) MEN1KMT2AHTR2AADRA1AHRH1
SCHEMBL7705608 0.93 HTR2A (0.61) MEN1KMT2AHTR2AADRA1AHRH1
Hydrochloric Acid SCHEMBL10675752 0.92 ADRA1A (0.71) MEN1KMT2AHTR2AADRA1AHRH1
SCHEMBL10676898 0.87 SLC29A1 (0.66) MEN1KMT2AHTR2AADRA1AHRH1
SCHEMBL10683035 0.85 MEN1 (0.51) MEN1KMT2AHTR2AADRA1AHRH1
SCHEMBL10683605 0.85 SLC29A1 (0.68) MEN1KMT2AHTR2AADRA1AHRH1
SCHEMBL10683725 0.84 ADRA1A (0.76) MEN1KMT2AHTR2AADRA1AHRH1
SCHEMBL10680360 0.84 HTR2A (0.56) MEN1KMT2AHTR2AADRA1AHRH1
SCHEMBL10686081 0.83 SLC29A1 (0.59) MEN1KMT2AHTR2AADRA1AHRH1
SCHEMBL10676648 0.83 ADRA1A (0.73) MEN1KMT2AHTR2AADRA1AHRH1

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