SCHEMBL7794415

SCHEMBL7794415

O=C(O)c1cccnc1N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.53
DRD2 P14416 6/20 0.53
SIGMAR1 Q99720 5/20 0.53
HTR2A P28223 5/20 0.51
HRH1 P35367 5/20 0.51
ADRA1A P35348 4/20 0.51
OPRK1 P41145 4/20 0.51
SLC6A3 Q01959 4/20 0.51
DRD4 P21917 4/20 0.51
OPRD1 P41143 3/20 0.51
CACNA1F O60840 3/20 0.51
DRD5 P21918 3/20 0.51
HRH2 P25021 3/20 0.51
ADRA1D P25100 3/20 0.51
HTR7 P34969 3/20 0.51
ADRA1B P35368 3/20 0.51
OPRM1 P35372 3/20 0.51
HTR6 P50406 3/20 0.51
CACNA1D Q01668 3/20 0.51
CACNA1S Q13698 3/20 0.51

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
Alcohol SCHEMBL9600777 0.96 KMT2A (0.54) DRD3DRD2SIGMAR1HTR2AHRH1
Hydrochloric Acid SCHEMBL9602476 0.91 DRD3 (0.51) DRD3DRD2SIGMAR1HTR2AHRH1
SCHEMBL7767918 0.89 LMNA (0.53) DRD3DRD2SIGMAR1HTR2AHRH1
Hydrochloric Acid SCHEMBL9602731 0.88 MEN1 (0.52) DRD3DRD2SIGMAR1HTR2AHRH1
Hydrochloric Acid SCHEMBL7796036 0.88 LMNA (0.52) DRD3DRD2SIGMAR1HTR2AHRH1
Hydrochloric Acid SCHEMBL7920769 0.88 LMNA (0.52) DRD3DRD2SIGMAR1HTR2AHRH1
SCHEMBL7773850 0.87 MAPT (0.67) DRD3DRD2SIGMAR1HTR2AHRH1
SCHEMBL7794410 0.87 LMNA (0.52) DRD3DRD2SIGMAR1HTR2AHRH1
Hydrochloric Acid SCHEMBL9601471 0.86 SIGMAR1 (0.48) DRD3DRD2SIGMAR1HTR2AHRH1
Hydrochloric Acid SCHEMBL7794406 0.86 LMNA (0.51) DRD3DRD2SIGMAR1HTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673368-B1 NOVEL NICOTINIC ACID ESTERS BIOVITRUM AB (SE) 2001-11-28 EP claimed
EP-0673368-B1 NOVEL NICOTINIC ACID ESTERS BIOVITRUM AB (SE) 2001-11-28 EP disclosed