SCHEMBL9538894

SCHEMBL9538894

Cc1nc2sccn2c(=O)c1CCN1CCC(Cc2nc3cccnc3n2Cc2ccco2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.44
HTR1A P08908 6/20 0.42
DRD2 P14416 5/20 0.42
HTR2A P28223 5/20 0.42
MAPT P10636 4/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
CYP2D6 P10635 3/20 0.42
TSHR P16473 3/20 0.42
TP53 P04637 3/20 0.42
CYP2C9 P11712 2/20 0.42
ALOX15 P16050 2/20 0.42
DGKA P23743 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 2/20 0.42
CYP3A4 P08684 2/20 0.42
PKM P14618 2/20 0.42
HTR2C P28335 2/20 0.42

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
SCHEMBL9535079 0.89 TSHR (0.45) HTR1ADRD2HTR2AMAPTALDH1A1
SCHEMBL9536136 0.88 SLC6A9 (0.44) SLC6A9HTR1ADRD2HTR2AALDH1A1
SCHEMBL9537953 0.87 KDM4E (0.46) SLC6A9HTR1ADRD2HTR2AMAPT
Hydrochloric Acid SCHEMBL9535191 0.87 SLC6A9 (0.43) SLC6A9HTR1ADRD2HTR2AALDH1A1
SCHEMBL9537069 0.84 HRH1 (0.43) SLC6A9HTR1ADRD2HTR2AMAPT
SCHEMBL9535132 0.84 SLC6A9 (0.43) SLC6A9HTR1ADRD2HTR2AMAPT
SCHEMBL8567881 0.80 MAPT (0.44) SLC6A9HTR1ADRD2HTR2AMAPT
SCHEMBL9538129 0.77 GAA (0.51) SLC6A9HTR1AMAPTALDH1A1LMNA
SCHEMBL9536415 0.77 KDM4E (0.48) HTR1ADRD2HTR2AMAPTALDH1A1
SCHEMBL9537181 0.77 SLC6A9 (0.49) SLC6A9MAPTALDH1A1LMNATSHR

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-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP claimed