SCHEMBL8557061

SCHEMBL8557061

CCCCCC(N)C1CNCCO1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.35
SLC6A4 P31645 6/20 0.35
SLC6A3 Q01959 6/20 0.35
MLNR O43193 1/20 0.35
ADRB2 P07550 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2C P28335 1/20 0.35
OPRK1 P41145 1/20 0.35
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRM1 P35372 1/20 0.34

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
SCHEMBL72779 0.81 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL5712863 0.81 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL9854588 0.81 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL27658433 0.81 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL6712356 0.81 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL26489053 0.81 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL6833197 0.81 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL9858373 0.81 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL10505520 0.80 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL18980967 0.79 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3MLNRADRB2

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 4 patents. 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
US-5424451-A Used as cholinesterase activity inhibitors MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1995-06-13 US disclosed
US-5302593-A Aminoalkylcarbamic esters of eseroline suitable for use as chlorinesterase activity inhibitors MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1994-04-12 US disclosed
EP-0575954-A1 Aminoalkylcarbamic esters of eseroline suitable for use as cholinesterase acitivity inhibitors and relative preparation process MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1993-12-29 EP disclosed