SCHEMBL8766987

SCHEMBL8766987

O=P(O)(O)CN(CCCc1ccccc1)c1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
ACE P12821 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
ADRB1 P08588 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
DRD2 P14416 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
DRD1 P21728 1/20 0.45
DRD4 P21917 1/20 0.45
SLC6A2 P23975 1/20 0.45
ADRA1D P25100 1/20 0.45
HTR1D P28221 1/20 0.45
SLC6A4 P31645 1/20 0.45

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
SCHEMBL8766577 0.83 HTR2A (0.46) MAOAMAOBACENPC1RAB9A
SCHEMBL8766658 0.70 MEN1 (0.46) MAOBLMNAKDM4EGAA
SCHEMBL29679451 0.69 TRPM8 (0.62) NPC1RAB9ATRPM8TAS1R3TAS1R1
SCHEMBL8766760 0.69 MEN1 (0.45) LMNAKDM4EGAA
SCHEMBL8766041 0.68 FDPS (0.42) SMN1; SMN2LMNAL3MBTL1TDP1KDM4E
SCHEMBL20915894 0.68 HPGD (0.57) NPC1RAB9ATRPM8TAS1R3TAS1R1
SCHEMBL9126496 0.67 HPGD (0.50) NPC1RAB9ATRPM8INSRIGF1R
SCHEMBL28490944 0.67 MAOB (0.64) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL8604814 0.67 CALM1 (0.70) MAOAMAOBNPC1RAB9AHTR2A
SCHEMBL26617467 0.66 HPGD (0.57) MAOAMAOBNPC1RAB9AHTR2A

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-0559079-B1 Substituted aminophosphonate derivatives, process for their preparation and pharmaceutical compositions containing them SYMPHAR SA (CH) 1997-08-13 EP claimed