SCHEMBL8555642

SCHEMBL8555642

O=C1c2ccccc2C(=O)N1CCBr.O=C1c2ccccc2C(=O)N1CCC1CNCCO1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.48
SLC6A4 P31645 11/20 0.48
SLC6A3 Q01959 8/20 0.48
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ACHE P22303 2/20 0.41
LMNA P02545 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
SCHEMBL8556223 0.94 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL27657033 0.92 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CYP1A2CYP2C9
SCHEMBL8557616 0.88 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CYP1A2CYP2C9
SCHEMBL8559522 0.87 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CYP1A2CYP2C9
SCHEMBL8554465 0.86 TDP1 (0.43) SLC6A2SLC6A4SLC6A3CYP1A2CYP2C9
SCHEMBL8552812 0.86 TDP1 (0.43) SLC6A2SLC6A4SLC6A3CYP1A2CYP2C9
SCHEMBL8553944 0.86 TDP1 (0.43) SLC6A2SLC6A4SLC6A3CYP1A2CYP2C9
SCHEMBL8559635 0.86 TDP1 (0.43) SLC6A2SLC6A4SLC6A3CYP1A2CYP2C9
SCHEMBL8558958 0.86 TDP1 (0.43) SLC6A2SLC6A4SLC6A3CYP1A2CYP2C9
SCHEMBL8556087 0.86 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3CYP1A2CYP2C9

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