SCHEMBL10759482

SCHEMBL10759482

CN1C(=O)C(Cc2ccccc2)(c2ccccc2OCCCCN2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)Cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 10/20 0.42
OPRK1 P41145 8/20 0.42
OPRM1 P35372 7/20 0.42
HTR2A P28223 7/20 0.42
ADRA1A P35348 7/20 0.42
HRH1 P35367 7/20 0.42
DRD3 P35462 7/20 0.42
HTR6 P50406 6/20 0.42
CACNA1C Q13936 6/20 0.42
OPRD1 P41143 6/20 0.42
HTR2C P28335 5/20 0.42
CACNA1F O60840 5/20 0.42
HRH2 P25021 5/20 0.42
CACNA1D Q01668 5/20 0.42
CACNA1S Q13698 5/20 0.42
DRD4 P21917 4/20 0.42
DRD5 P21918 4/20 0.42
ADRA1D P25100 4/20 0.42
HTR7 P34969 4/20 0.42
ADRA1B P35368 4/20 0.42

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 SCHEMBL10692827 0.99 SLC6A3 (0.42) SLC6A3OPRK1OPRM1HTR2AADRA1A
SCHEMBL10694474 0.92 CYP3A4 (0.41) SLC6A3OPRK1OPRM1HTR2AADRA1A
SCHEMBL10691826 0.87 HTR2A (0.43) SLC6A3OPRK1OPRM1HTR2AADRA1A
Maleic Acid SCHEMBL10754715 0.82 HTR2A (0.41) SLC6A3OPRK1OPRM1HTR2AADRA1A
SCHEMBL10763371 0.80 HTR1A (0.42) DRD3DRD4DRD2HTR1AMEN1
SCHEMBL10694576 0.80 POLB (0.33) ADRA1AADRA1DHTR7ADRA1BDRD2
Hydrochloric Acid SCHEMBL10409299 0.80 LMNA (0.43) SLC6A3OPRK1OPRM1HTR2AADRA1A
SCHEMBL10695992 0.75 SCN9A (0.39) ADRA1AADRA1DHTR7ADRA1BLMNA
Hydrochloric Acid SCHEMBL10570034 0.73 MEN1 (0.38) SLC6A3OPRK1OPRM1HTR2AADRA1A
SCHEMBL10759620 0.72 DRD2 (0.41) ADRA1ADRD3DRD4ADRA1DHTR7

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-0212216-A1 Dihydroquinolinone derivatives, processes for their preparation, medicaments containing them, the use of these medicaments, and intermediates for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-04 EP disclosed