SCHEMBL8716580

SCHEMBL8716580

CC(Cc1ccccc1Cl)[C@@H](N)[C@H](O)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.43
SLC6A3 Q01959 3/20 0.43
SLC6A4 P31645 2/20 0.43
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
HDAC8 Q9BY41 2/20 0.40
ADRB2 P07550 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR1 P21554 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL8716583 1.00 SLC6A2 (0.43) SLC6A2SLC6A3SLC6A4PPARGPPARA
SCHEMBL8713656 0.91 LMNA (0.47) SLC6A2SLC6A3SLC6A4HDAC8CYP1A2
SCHEMBL8713658 0.91 LMNA (0.47) SLC6A2SLC6A3SLC6A4HDAC8CYP1A2
SCHEMBL8716732 0.90 SLC6A2 (0.42) SLC6A2SLC6A3SLC6A4HDAC8KMT2A
SCHEMBL8716733 0.90 SLC6A2 (0.42) SLC6A2SLC6A3SLC6A4HDAC8KMT2A
SCHEMBL8716593 0.87 PPARG (0.44) SLC6A2SLC6A3SLC6A4PPARGPPARA
SCHEMBL8716591 0.87 PPARG (0.44) SLC6A2SLC6A3SLC6A4PPARGPPARA
SCHEMBL8718273 0.86 SLC6A4 (0.44) SLC6A2SLC6A3SLC6A4CYP2D6CYP3A4
SCHEMBL8718271 0.86 SLC6A4 (0.44) SLC6A2SLC6A3SLC6A4CYP2D6CYP3A4
SCHEMBL8716351 0.85 GRIN2B (0.44) SLC6A2SLC6A3SLC6A4ADRA2AADRA2C

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