SCHEMBL5680358

SCHEMBL5680358

[c]1c(-c2ccccc2)cccc1C1CCc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.39
SIGMAR1 Q99720 3/20 0.38
CYP11B2 P19099 1/20 0.37
IDO1 P14902 2/20 0.36
PDPK1 O15530 1/20 0.36
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
HTR6 P50406 1/20 0.34
GID4 Q8IVV7 1/20 0.33
SLC18A3 Q16572 1/20 0.33
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
FADS1 O60427 1/20 0.32

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
SCHEMBL4795332 0.72 ADRA1A (0.44) ADRA1ASIGMAR1CYP11B2IDO1PDPK1
SCHEMBL1504258 0.72 ADRA1A (0.41) ADRA1ASIGMAR1CYP11B2IDO1PDPK1
SCHEMBL29187306 0.70 ADRA1A (0.45) ADRA1ASIGMAR1CYP11B2IDO1PDPK1
SCHEMBL6285498 0.69 CASP3 (0.41) SLC18A3
SCHEMBL29390302 0.69 SIGMAR1 (0.62) ADRA1ASIGMAR1CYP11B2KDM1AMAOA
SCHEMBL503849 0.69 SIGMAR1 (0.62) ADRA1ASIGMAR1CYP11B2KDM1AMAOA
SCHEMBL4278950 0.69 ADRA1A (0.51) ADRA1ASIGMAR1CYP11B2IDO1PDPK1
SCHEMBL30788464 0.68 ADRA1A (0.43) ADRA1ASIGMAR1CYP11B2IDO1PDPK1
SCHEMBL30606845 0.68 SIGMAR1 (0.60) ADRA1ASIGMAR1CYP11B2KDM1AMAOA
Ammonia Solution, Strong SCHEMBL8210515 0.68 SIGMAR1 (0.60) ADRA1ASIGMAR1CYP11B2KDM1AMAOA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622966-A1 POLYMER NETWORKS The University of Reading (GB) 2006-02-08 EP disclosed
WO-2004094504-A1 POLYMER NETWORKS THE UNIVERSITY OF READING (GB) 2004-11-04 WO disclosed