SCHEMBL8959964

SCHEMBL8959964

C=C=C1OCc2cc(CCCC)ccc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 10/20 0.39
KCNH2 Q12809 10/20 0.39
SKP2 Q13309 1/20 0.36
GPR3 P46089 1/20 0.34
PSMB5 P28074 1/20 0.33
DRD2 P14416 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL8960097 0.96 GPR3 (0.39) KCNJ1KCNH2GPR3DRD2SLC6A2
SCHEMBL8959979 0.94 GPR3 (0.41) KCNJ1KCNH2GPR3DRD2SLC6A2
SCHEMBL8960004 0.94 GPR3 (0.41) KCNJ1KCNH2GPR3DRD2SLC6A2
SCHEMBL8959807 0.94 GPR3 (0.41) KCNJ1KCNH2GPR3DRD2SLC6A2
SCHEMBL8960023 0.94 GPR3 (0.41) KCNJ1KCNH2GPR3DRD2SLC6A2
SCHEMBL8959913 0.94 GPR3 (0.41) KCNJ1KCNH2GPR3DRD2SLC6A2
SCHEMBL8959786 0.94 GPR3 (0.41) KCNJ1KCNH2GPR3DRD2SLC6A2
SCHEMBL8960101 0.94 GPR3 (0.41) KCNJ1KCNH2GPR3DRD2SLC6A2
SCHEMBL8960183 0.91 KCNJ1 (0.40) KCNJ1KCNH2HTR2AHTR2C
SCHEMBL8960053 0.85 KCNJ1 (0.36) KCNJ1KCNH2HTR2AHTR2CNPC1

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
US-5510456-A Bridged cyclic arleneethylene polymers SHOWA DENKO K. K. (JP) 1996-04-23 US disclosed