SCHEMBL6047844

SCHEMBL6047844

Cc1cccc(C2CCc3ccccc32)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.55
SIGMAR1 Q99720 3/20 0.48
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
HTR2C P28335 4/20 0.44
CYP11B2 P19099 1/20 0.44
LMNA P02545 1/20 0.43
PDPK1 O15530 1/20 0.42
ADRA1A P35348 1/20 0.42
CYP19A1 P11511 1/20 0.41
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
PRCP P42785 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
DRD1 P21728 1/20 0.40
HTR2A P28223 2/20 0.40
HTR2B P41595 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40

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
SCHEMBL11767850 0.81 PRCP (0.56) GID4SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL28689869 0.80 DDB1 (0.51) GID4SIGMAR1CYP11B2ADRA1ACYP19A1
SCHEMBL28398229 0.80 GID4 (0.48) GID4SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL29390302 0.80 SIGMAR1 (0.62) GID4SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL503849 0.80 SIGMAR1 (0.62) GID4SIGMAR1SLC6A2SLC6A4SLC6A3
Ammonia Solution, Strong SCHEMBL8210515 0.78 SIGMAR1 (0.60) GID4SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL28025940 0.78 SIGMAR1 (0.60) GID4SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL30606845 0.78 SIGMAR1 (0.60) GID4SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL20856099 0.77 GID4 (0.58) GID4SIGMAR1LMNAADRA1APRCP
SCHEMBL19164320 0.76 MEN1 (0.69) SLC6A2SLC6A4SLC6A3HTR2CLMNA

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-2006117556-A2 MATERIALS AND METHODS FOR THE PHOTODIRECTED SYNTHESIS OF OLIGONUCLEOTIDE ARRAYS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2006-11-09 WO disclosed