SCHEMBL7950557

SCHEMBL7950557

O=C(O)COCCN1CCNCC1Cc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HRH1 P35367 3/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
HRH2 P25021 1/20 0.41
HTR2A P28223 1/20 0.41
DRD3 P35462 1/20 0.41
HTR2B P41595 1/20 0.41
TEK Q02763 1/20 0.41
KCNH2 Q12809 1/20 0.41
USP2 O75604 1/20 0.41
MITF O75030 1/20 0.40
CHIT1 Q13231 2/20 0.38
CHIA Q9BZP6 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL6711052 0.89 TDP1 (0.39) TDP1L3MBTL1MITFCHIT1CHIA
SCHEMBL2116076 0.86 TDP1 (0.44) TDP1L3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL7115205 0.85 HRH1 (0.42) TDP1HRH1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL5957371 0.84 HRH1 (0.43) TDP1HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL3738377 0.84 TDP1 (0.41) TDP1L3MBTL1MITFCHIT1CHIA
SCHEMBL5695792 0.81 TDP1 (0.47) TDP1L3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL5695790 0.81 TDP1 (0.45) TDP1L3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL9812322 0.80 TDP1 (0.41) TDP1L3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL3738384 0.76 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CHIT1CHIA
SCHEMBL27629296 0.74 TDP1 (0.51) TDP1L3MBTL1SLC6A2SLC6A4SLC6A3

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-6239277-B1 ALKYLATION OF AMINE GROUP IN PIPERAZINE RING SALSBURY CHEMICALS, INC. 2001-05-29 US disclosed