SCHEMBL28097062

SCHEMBL28097062

CCC(C(=O)O)N1CCC(OC(c2ccc(Cl)cc2)c2ccccn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
FAAH O00519 8/20 0.43
LMNA P02545 2/20 0.43
CHRM2 P08172 1/20 0.43
ADRA2B P18089 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
HRH1 P35367 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
DRD2 P14416 1/20 0.43
BCHE P06276 1/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL28850344 0.91 FAAH (0.43) POLBFAAHLMNACHRM2ADRA2B
SCHEMBL28850271 0.83 FAAH (0.50) POLBFAAHLMNACHRM2ADRA2B
SCHEMBL20898384 0.82 NOS2 (0.51) POLBFAAHLMNACHRM2ADRA2B
SCHEMBL29631806 0.82 NOS2 (0.51) POLBFAAHLMNACHRM2ADRA2B
SCHEMBL20900383 0.82 NOS2 (0.51) POLBFAAHLMNACHRM2ADRA2B
SCHEMBL28850336 0.82 FAAH (0.51) POLBFAAHLMNACHRM2ADRA2B
SCHEMBL9533373 0.80 BCHE (0.52) POLBFAAHDRD2BCHE
SCHEMBL14198313 0.80 CYP2D6 (0.57) FAAHLMNACHRM2ADRA2BSLC6A2
SCHEMBL20898376 0.80 POLB (0.43) POLBFAAHLMNACHRM2ADRA2B
SCHEMBL28087243 0.80 POLB (0.43) POLBFAAHLMNACHRM2ADRA2B

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
CN-106038480-A Photostable aqueous liquid preparation 江苏恒瑞医药股份有限公司 2016-10-26 CN disclosed