SCHEMBL8559522

SCHEMBL8559522

O=C1c2ccccc2C(=O)N1CCCCBr.O=C1c2ccccc2C(=O)N1CCCCC1CNCCO1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.43
SLC6A4 P31645 6/20 0.43
SLC6A3 Q01959 5/20 0.43
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTR1A P08908 3/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL8559635 0.99 TDP1 (0.43) SLC6A2SLC6A4SLC6A3LMNACYP1A2
SCHEMBL8553944 0.99 TDP1 (0.43) SLC6A2SLC6A4SLC6A3LMNACYP1A2
SCHEMBL8558958 0.99 TDP1 (0.43) SLC6A2SLC6A4SLC6A3LMNACYP1A2
SCHEMBL8554465 0.99 TDP1 (0.43) SLC6A2SLC6A4SLC6A3LMNACYP1A2
SCHEMBL8552812 0.99 TDP1 (0.43) SLC6A2SLC6A4SLC6A3LMNACYP1A2
SCHEMBL8557616 0.94 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3LMNACYP1A2
SCHEMBL8555421 0.94 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3LMNACYP1A2
SCHEMBL8558048 0.93 TDP1 (0.48) SLC6A2SLC6A4SLC6A3LMNACYP1A2
SCHEMBL8559698 0.93 TDP1 (0.48) SLC6A2SLC6A4SLC6A3LMNACYP1A2
SCHEMBL8559087 0.93 TDP1 (0.48) SLC6A2SLC6A4SLC6A3LMNACYP1A2

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-0575954-B1 Aminoalkylcarbamic esters of eseroline suitable for use as cholinesterase acitivity inhibitors and relative preparation process MEDIOLANUM FARMACEUTICI SRL (IT) 1998-09-02 EP disclosed