SCHEMBL9030901

SCHEMBL9030901

NCc1cc(Cl)c(NC(=O)CN2CCN(CCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 2/20 0.64
KCNH2 Q12809 7/20 0.61
HTR2A P28223 5/20 0.61
DRD3 P35462 5/20 0.61
OPRK1 P41145 5/20 0.61
SLC6A3 Q01959 5/20 0.61
OPRD1 P41143 4/20 0.61
ADRA1A P35348 4/20 0.61
HRH1 P35367 4/20 0.61
ADORA3 P0DMS8 3/20 0.61
DRD2 P14416 3/20 0.61
KMT2A Q03164 3/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2D6 P10635 2/20 0.61
MEN1 O00255 2/20 0.61
SLC6A2 P23975 2/20 0.61
SLC6A4 P31645 2/20 0.61
HTR2B P41595 2/20 0.61
MLNR O43193 1/20 0.61
NR1I2 O75469 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
SCHEMBL7517455 0.90 SLC29A1 (0.76) SLC29A1KCNH2HTR2ADRD3OPRK1
Water SCHEMBL7526796 0.90 SLC29A1 (0.75) SLC29A1KCNH2HTR2ADRD3OPRK1
Water SCHEMBL9362242 0.90 SLC29A1 (0.75) SLC29A1KCNH2HTR2ADRD3OPRK1
Hydrochloric Acid SCHEMBL7810744 0.90 SLC29A1 (0.75) SLC29A1KCNH2HTR2ADRD3OPRK1
SCHEMBL10460454 0.87 SLC29A1 (0.85) SLC29A1KCNH2HTR2ADRD3OPRK1
SCHEMBL9808247 0.81 SLC29A1 (0.82) SLC29A1KCNH2HTR2ADRD3OPRK1
Hydrochloric Acid SCHEMBL9030478 0.80 SLC29A1 (0.56) SLC29A1KCNH2HTR2ADRD3OPRK1
SCHEMBL7808271 0.79 SLC29A1 (0.80) SLC29A1KCNH2HTR2ADRD3OPRK1
SCHEMBL10459777 0.79 SLC29A1 (0.78) SLC29A1KCNH2HTR2ADRD3OPRK1
Draflazine SCHEMBL215826 0.78 SLC29A1 (1.00) SLC29A1KCNH2HTR2ADRD3OPRK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0727421-A1 Agents for improving sleep JANSSEN PHARMACEUTICA N.V. (BE) 1996-08-21 EP disclosed