SCHEMBL27319782

SCHEMBL27319782

C[CH]CC(CC)c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.40
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
AOC3 Q16853 1/20 0.38
HIF1A Q16665 3/20 0.37
CYP2D6 P10635 1/20 0.37
NFKB1 P19838 1/20 0.37
BLM P54132 2/20 0.36
CASP1 P29466 1/20 0.36
MC4R P32245 1/20 0.34
MAPT P10636 3/20 0.33
TSHR P16473 3/20 0.33
LMNA P02545 2/20 0.33
IDO1 P14902 2/20 0.33
TDO2 P48775 2/20 0.33
IDO2 Q6ZQW0 2/20 0.33
CYP2C19 P33261 2/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 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
SCHEMBL2632968 0.84 NISCH (0.47) NISCHADRB2ADRB1AOC3HIF1A
SCHEMBL6683975 0.79 NISCH (0.43) NISCHADRB2ADRB1AOC3HIF1A
SCHEMBL6679046 0.77 NISCH (0.42) NISCHADRB2ADRB1AOC3HIF1A
SCHEMBL8602132 0.77 NISCH (0.42) NISCHADRB2ADRB1AOC3HIF1A
SCHEMBL19003445 0.77 NISCH (0.42) NISCHADRB2ADRB1AOC3HIF1A
SCHEMBL268860 0.76 NISCH (0.44) NISCHADRB2ADRB1AOC3HIF1A
SCHEMBL25487654 0.74 NISCH (0.40) NISCHADRB2ADRB1AOC3HIF1A
SCHEMBL8601500 0.74 NISCH (0.40) NISCHADRB2ADRB1AOC3HIF1A
SCHEMBL6527704 0.74 NISCH (0.40) NISCHADRB2ADRB1AOC3HIF1A
Dimethylamine SCHEMBL10508428 0.73 NISCH (0.50) NISCHADRB2ADRB1AOC3HIF1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1051311-C N-heteroaryl-n'-phenylurea derivatives, their production and use NIHON NOHYAKU CO LTD (JP) 2000-04-12 CN disclosed
CN-1100417-A N-heteroaryl-n'-phenylurea derivatives, their production and use NIHON NOHYAKU CO LTD (JP) 1995-03-22 CN disclosed