SCHEMBL8716625

SCHEMBL8716625

Cc1ccccc1CC(C)(C[C@H](N)O)c1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.38
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
NR3C2 P08235 1/20 0.34
ADRB3 P13945 1/20 0.34
PNMT P11086 1/20 0.33
P2RX4 Q99571 1/20 0.33
SCN5A Q14524 3/20 0.33
SCN9A Q15858 3/20 0.33

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
SCHEMBL8719069 0.89 KIF11 (0.39) KIF11SLC6A2SLC6A4PNMTSCN5A
SCHEMBL8716595 0.86 PPARG (0.38) KIF11ADRB2ADRB1NR3C2
SCHEMBL8718439 0.85 CYP2C19 (0.38) KIF11SLC6A2SLC6A4ADRB2ADRB1
SCHEMBL8718508 0.85 PNMT (0.42) SLC6A2SLC6A4PNMT
SCHEMBL8717503 0.85 CBX7 (0.37) KIF11SLC6A2SLC6A4ADRB2ADRB1
SCHEMBL8720152 0.84 MEN1 (0.39) KIF11SLC6A2SLC6A4P2RX4
SCHEMBL8717072 0.81 KIF11 (0.40) KIF11SLC6A2SLC6A4PNMTSCN5A
SCHEMBL8713306 0.80 KIF11 (0.40) KIF11PNMTSCN5ASCN9A
SCHEMBL8713653 0.80 KIF11 (0.38) KIF11SLC6A2SLC6A4PNMT
SCHEMBL8714450 0.80 SLC1A5 (0.46) KIF11ADRB3

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