SCHEMBL7115205

SCHEMBL7115205

O=C(O)COCCN1CCNCC1Cc1ccccc1-c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A3 Q01959 3/20 0.42
SLC6A4 P31645 2/20 0.42
HRH2 P25021 1/20 0.42
HTR2A P28223 1/20 0.42
DRD3 P35462 1/20 0.42
HTR2B P41595 1/20 0.42
TEK Q02763 1/20 0.42
KCNH2 Q12809 1/20 0.42
USP2 O75604 1/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CHRM3 P20309 1/20 0.38
IDE P14735 1/20 0.36
UBE2N P61088 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ATM Q13315 1/20 0.36

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
Hydrochloric Acid SCHEMBL5957371 0.99 HRH1 (0.43) HRH1TDP1SLC6A2SLC6A3SLC6A4
SCHEMBL7950557 0.85 TDP1 (0.41) HRH1TDP1SLC6A2SLC6A3SLC6A4
SCHEMBL6634458 0.85 CHRM3 (0.38) HRH1TDP1SLC6A2SLC6A3SLC6A4
SCHEMBL30904665 0.78 SLC6A3 (0.47) SLC6A2SLC6A3SLC6A4
SCHEMBL8910673 0.76 CHRM3 (0.41) HRH1SLC6A2SLC6A3SLC6A4HRH2
SCHEMBL6711052 0.75 TDP1 (0.39) TDP1MITF
SCHEMBL6482143 0.75 HRH1 (0.54) HRH1TDP1SLC6A2SLC6A3SLC6A4
SCHEMBL219876 0.74 HRH1 (0.59) HRH1TDP1SLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL5957369 0.74 HRH1 (0.55) HRH1TDP1SLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL5686168 0.74 HRH1 (0.60) HRH1TDP1SLC6A2SLC6A3SLC6A4

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
EP-1196409-B1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2004-02-04 EP disclosed