SCHEMBL9716696

SCHEMBL9716696

CC(C)CN(CCCC(=O)c1ccc(F)cc1)CC(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
HTR7 P34969 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.55
PTPN1 P18031 1/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.44
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
DRD1 P21728 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRM1 P35372 1/20 0.44
DRD3 P35462 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL9716870 0.84 L3MBTL1 (0.55) NPC1RAB9AL3MBTL1PTPN1LMNA
SCHEMBL6701558 0.83 L3MBTL1 (0.71) NPC1RAB9AHTR7L3MBTL1PTPN1
SCHEMBL10248323 0.82 NPC1 (0.69) NPC1RAB9AHTR7L3MBTL1PTPN1
SCHEMBL3822016 0.82 NPC1 (0.69) NPC1RAB9AHTR7L3MBTL1PTPN1
SCHEMBL17032601 0.79 NPC1 (0.62) NPC1RAB9AHTR7PTPN1TSHR
SCHEMBL9680520 0.76 NPC1 (0.91) NPC1RAB9AHTR7L3MBTL1PTPN1
SCHEMBL4897835 0.75 NPC1 (0.62) NPC1RAB9AHTR7PTPN1KMT2A
SCHEMBL1040636 0.74 NPC1 (0.87) NPC1RAB9AHTR7L3MBTL1PTPN1
SCHEMBL9680984 0.74 NPC1 (0.87) NPC1RAB9AHTR7L3MBTL1PTPN1
SCHEMBL3424496 0.74 NPC1 (0.87) NPC1RAB9AHTR7L3MBTL1PTPN1

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
US-5089529-A Antiarrhythmia agents NIPPON SHINYAKU CO., LTD. (JP) 1992-02-18 US disclosed