SCHEMBL20141666

SCHEMBL20141666

Fc1cccc(N2CCCNCC2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.57
HTR3E A5X5Y0 2/20 0.57
HTR3B O95264 2/20 0.57
ALDH1A1 P00352 2/20 0.57
HTR3D Q70Z44 2/20 0.57
HTR3C Q8WXA8 2/20 0.57
IRAK4 Q9NWZ3 1/20 0.50
PRKCQ Q04759 2/20 0.48
PRKCA P17252 1/20 0.48
PRKCD Q05655 1/20 0.48
HTR2C P28335 2/20 0.47
HTR1A P08908 2/20 0.47
HTR7 P34969 2/20 0.47
HTR6 P50406 2/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
CYP1A2 P05177 1/20 0.47
ADRB1 P08588 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL3632004 0.93 HTR3E (0.64) HTR3AHTR3EHTR3BALDH1A1HTR3D
SCHEMBL14897578 0.84 ALOX5 (0.46) HTR3AHTR3EHTR3BALDH1A1HTR3D
SCHEMBL14896676 0.84 ALOX5 (0.46) HTR3AHTR3EHTR3BALDH1A1HTR3D
SCHEMBL6242154 0.83 HTR3E (0.68) HTR3AHTR3EHTR3BALDH1A1HTR3D
SCHEMBL31195791 0.83 HSD17B14 (0.47) HTR3AHTR3EHTR3BALDH1A1HTR3D
SCHEMBL12685315 0.81 HTR3E (0.58) HTR3AHTR3EHTR3BALDH1A1HTR3D
SCHEMBL23114416 0.77 HTR3E (0.53) HTR3AHTR3EHTR3BALDH1A1HTR3D
SCHEMBL30077085 0.77 PIM1 (0.53) HTR3AHTR3EHTR3BALDH1A1HTR3D
SCHEMBL15347238 0.77 PIM1 (0.53) HTR3AHTR3EHTR3BALDH1A1HTR3D
SCHEMBL15347217 0.76 PRKCA (0.65) HTR3AHTR3EHTR3BALDH1A1HTR3D

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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed