SCHEMBL3352349

SCHEMBL3352349

CCN(CC)CCc1cn(C)c2ccc(N)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.50
ADRB2 P07550 1/20 0.48
HTR1D P28221 1/20 0.48
HTR2A P28223 2/20 0.44
PRKCI P41743 1/20 0.40
CYP19A1 P11511 2/20 0.39
ACHE P22303 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
HBB P68871 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL3348930 0.85 HTR6 (0.66) HTR6ADRB2HTR1DHTR2AHTR2C
SCHEMBL3320875 0.82 HTR1D (0.68) HTR6ADRB2HTR1DHTR2APRKCI
SCHEMBL9400590 0.80 ADRB2 (0.49) HTR6ADRB2HTR1DHTR2APRKCI
SCHEMBL3351876 0.78 CDK2 (0.48) HTR6MEN1MAPTKMT2A
SCHEMBL3323916 0.77 ADRB2 (0.50) HTR6ADRB2HTR1DHTR2APRKCI
SCHEMBL3353042 0.76 HTR6 (0.47) HTR6ADRB2HTR1DHTR2APRKCI
SCHEMBL3355548 0.74 HTR1D (0.48) HTR6ADRB2HTR1DHTR2AACHE
SCHEMBL18509874 0.74 HPGD (0.51) ADRB2HTR1DHTR2AKDM4EMEN1
SCHEMBL3356705 0.73 HTR1D (0.47) HTR6ADRB2HTR1DHTR2AKDM4E
SCHEMBL3355352 0.73 ADRB2 (0.47) HTR6ADRB2HTR1DHTR2AACHE

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-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed