SCHEMBL8025555

SCHEMBL8025555

O=C(O)CCCN1c2ccccc2CCc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.60
MAPT P10636 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
KDM4E B2RXH2 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
POLB P06746 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
SLC6A4 P31645 5/20 0.55
DRD2 P14416 5/20 0.55
DRD3 P35462 5/20 0.55
SLC6A2 P23975 4/20 0.55
CHRM1 P11229 3/20 0.55
ADRA2B P18089 3/20 0.55
ADRA2C P18825 3/20 0.55
CHRM3 P20309 3/20 0.55
HTR2C P28335 3/20 0.55
ADRA1A P35348 3/20 0.55
HRH1 P35367 3/20 0.55
OPRK1 P41145 3/20 0.55

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
SCHEMBL18350826 0.92 MEN1 (0.51) HTR2AMAPTMEN1KMT2AKDM4E
SCHEMBL6419291 0.90 MEN1 (0.66) HTR2AMAPTMEN1KMT2AKDM4E
SCHEMBL4920571 0.87 HTR2A (0.65) HTR2AMAPTMEN1KMT2AKDM4E
SCHEMBL284853 0.85 HDAC3 (0.56) HTR2AMAPTMEN1KMT2AKDM4E
SCHEMBL7603769 0.85 SLC6A2 (0.58) HTR2AMAPTMEN1KMT2AKDM4E
SCHEMBL4733904 0.84 SLC6A4 (0.65) HTR2AMAPTMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL7810034 0.84 SLC6A2 (0.59) HTR2AMAPTMEN1KMT2AKDM4E
Desipramine SCHEMBL9485122 0.83 SLC6A2 (0.71) HTR2AMAPTMEN1KMT2AKDM4E
SCHEMBL13051501 0.82 HTR2A (0.78) HTR2AMAPTMEN1KMT2AKDM4E
SCHEMBL18350824 0.81 MEN1 (0.62) HTR2AMAPTMEN1KMT2AKDM4E

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
WO-2000064884-A1 PIPERIDYL-IMIDAZOLE DERIVATIVES, THEIR PREPARATIONS AND THERAPEUTIC USES NOVO NORDISK A/S (DK) 2000-11-02 WO disclosed