SCHEMBL8713787

SCHEMBL8713787

COc1ccccc1C(O)C(N)C(C)Cc1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP3A4 P08684 1/20 0.42
KCNH2 Q12809 1/20 0.42
KMT2A Q03164 3/20 0.39
MAPT P10636 1/20 0.38
FABP4 P15090 2/20 0.38
FABP5 Q01469 2/20 0.38
ADRA2A P08913 1/20 0.37
ADRA1A P35348 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.36
MAPK1 P28482 1/20 0.36
BLM P54132 1/20 0.36
GAA P10253 1/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL8713784 1.00 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL8719251 0.91 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL8719255 0.91 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL8716176 0.89 IDO1 (0.42) SLC6A2SLC6A4CYP2D6KCNH2KMT2A
SCHEMBL8716177 0.89 IDO1 (0.42) SLC6A2SLC6A4CYP2D6KCNH2KMT2A
SCHEMBL8713904 0.88 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL8713907 0.88 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL8716229 0.86 FABP4 (0.43) FABP4FABP5
SCHEMBL8716228 0.86 FABP4 (0.43) FABP4FABP5
SCHEMBL8713609 0.86 LMNA (0.39) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4

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-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed