SCHEMBL8713650

SCHEMBL8713650

Cc1cccc(C(O)C(N)C(C)Cc2ccccc2Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC8 Q9BY41 2/20 0.37
ADRB1 P08588 1/20 0.36
MIF P14174 1/20 0.36
HTR2A P28223 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
CASR P41180 1/20 0.36
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
AOC3 Q16853 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2C P18825 1/20 0.34
LMNA P02545 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ACP3 P15309 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL8713648 1.00 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3HDAC8ADRB1
SCHEMBL8719065 0.88 HDAC8 (0.43) SLC6A2SLC6A4SLC6A3HDAC8ADRB1
SCHEMBL8719067 0.88 HDAC8 (0.43) SLC6A2SLC6A4SLC6A3HDAC8ADRB1
SCHEMBL8713658 0.86 LMNA (0.47) SLC6A2SLC6A4SLC6A3HDAC8HTR2A
SCHEMBL8713656 0.86 LMNA (0.47) SLC6A2SLC6A4SLC6A3HDAC8HTR2A
SCHEMBL8716732 0.85 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3HDAC8ADRA2A
SCHEMBL8716733 0.85 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3HDAC8ADRA2A
SCHEMBL8718273 0.84 SLC6A4 (0.44) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL8718271 0.84 SLC6A4 (0.44) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL8713278 0.83 PNMT (0.45) HTR2AHTR2BACP3CYP3A4CYP2C9

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