SCHEMBL8653269

SCHEMBL8653269

NCCCC(c1ccc(F)cc1)c1ncc[nH]1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.42
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
F2RL1 P55085 8/20 0.38

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
SCHEMBL8653385 0.86 HRH1 (0.41) HTR2AHRH1F2RL1
SCHEMBL8655785 0.82 CYP19A1 (0.41) CYP19A1HTR2AHRH1
SCHEMBL8655476 0.82 SLC7A5 (0.45) HTR2AHRH1
SCHEMBL6954666 0.79 F2RL1 (0.43) F2RL1
SCHEMBL954931 0.79 F2RL1 (0.46) CYP19A1F2RL1
SCHEMBL7762331 0.78 HRH1 (0.42) CYP19A1HTR2AHRH1
SCHEMBL2862310 0.78 HRH1 (0.65) CYP19A1HTR2AHRH1
SCHEMBL9659736 0.77 HRH1 (0.55) HTR2AHRH1
Hydrochloric Acid SCHEMBL7389223 0.76 HRH1 (0.63) CYP19A1HTR2AHRH1
SCHEMBL7908696 0.74 CYP19A1 (0.42) CYP19A1F2RL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP claimed
WO-1995029929-A1 NOVEL ERYTHROMYCIN DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS DRUGS ROUSSEL UCLAF (FR) 1995-11-09 WO claimed
EP-0680967-A1 Erythromycin derivatives, their process of preparation and their use as medicaments ROUSSEL-UCLAF (FR) 1995-11-08 EP claimed
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP disclosed
WO-1995029929-A1 NOVEL ERYTHROMYCIN DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS DRUGS ROUSSEL UCLAF (FR) 1995-11-09 WO disclosed
EP-0680967-A1 Erythromycin derivatives, their process of preparation and their use as medicaments ROUSSEL-UCLAF (FR) 1995-11-08 EP disclosed