SCHEMBL8338982

SCHEMBL8338982

O=C(Nc1ccc2c(c1)Cc1ccccc1-2)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.61
SLC1A2 P43004 2/20 0.61
SLC1A1 P43005 2/20 0.61
CYP1A2 P05177 2/20 0.59
ADRA2A P08913 1/20 0.59
MAOA P21397 1/20 0.59
SLC6A2 P23975 1/20 0.59
HTR2C P28335 1/20 0.59
SLC6A4 P31645 1/20 0.59
HTR2B P41595 1/20 0.59
ROCK2 O75116 1/20 0.59
RAB9A P51151 5/20 0.57
NPC1 O15118 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
TP53 P04637 2/20 0.57
TSHR P16473 2/20 0.57
MAPT P10636 2/20 0.57
MAPK1 P28482 2/20 0.57
ALDH1A1 P00352 1/20 0.57
ATM Q13315 1/20 0.57

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
SCHEMBL8342207 0.89 TP53 (0.54) SLC1A3SLC1A2SLC1A1MAOAROCK2
SCHEMBL8339578 0.86 RAB9A (0.51) SLC1A3SLC1A2SLC1A1CYP1A2ADRA2A
SCHEMBL9447608 0.82 NPC1 (0.65) MAOAROCK2RAB9ANPC1SMN1; SMN2
SCHEMBL20809837 0.81 TP53 (0.56) MAOAROCK2RAB9ANPC1SMN1; SMN2
SCHEMBL11655760 0.81 CYP1A2 (0.73) SLC1A3SLC1A2SLC1A1CYP1A2ADRA2A
SCHEMBL6191868 0.80 NPC1 (0.57) MAOAROCK2RAB9ANPC1SMN1; SMN2
SCHEMBL6212186 0.79 BAZ2B (0.57) MAOAROCK2RAB9ANPC1SMN1; SMN2
SCHEMBL3787405 0.78 MGLL (0.58) MAOAROCK2RAB9ANPC1SMN1; SMN2
SCHEMBL19224991 0.77 MEN1 (0.70) MAOAROCK2RAB9ANPC1SMN1; SMN2
SCHEMBL10305252 0.77 ROCK2 (0.67) MAOAROCK2RAB9ANPC1SMN1; SMN2

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
WO-1999003846-A1 TRICYCLICALLY SUBSTITUTED OXAZOLIDINONES BAYER AKTIENGESELLSCHAFT (DE) 1999-01-28 WO disclosed