SCHEMBL7930453

SCHEMBL7930453

CC1=C2CC3=C(C)C([Zr]C1c1cccc(-c4ccccc4)c12)c1cccc(-c2ccccc2)c13

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
BRD4 O60885 1/20 0.33
HRH1 P35367 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
HTR1A P08908 3/20 0.32
HTR7 P34969 3/20 0.32
DRD2 P14416 1/20 0.32
CYP11B2 P19099 2/20 0.32
HTR2B P41595 2/20 0.31
TMEM97 Q5BJF2 2/20 0.31
SIGMAR1 Q99720 2/20 0.31

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
SCHEMBL3672615 0.91 HTR1A (0.35) CHRNB2CHRNA4BRD4HRH1PDCD1
SCHEMBL7639484 0.82 MAOB (0.34) CHRNB2CHRNA4HTR1AHTR7DRD2
SCHEMBL1900079 0.78 PDCD1 (0.32) CHRNB2CHRNA4PDCD1CD274
Hydrochloric Acid SCHEMBL218744 0.78 HTR1A (0.34) CHRNB2CHRNA4BRD4PDCD1CD274
Hydrochloric Acid SCHEMBL219025 0.78 CHRNB2 (0.33) CHRNB2CHRNA4BRD4PDCD1CD274
Chloromethane SCHEMBL7185377 0.75 PDCD1 (0.30) PDCD1CD274
SCHEMBL1898930 0.70 MAOB (0.33)
Hydrochloric Acid SCHEMBL217523 0.69 HTR1A (0.36) CHRNB2CHRNA4BRD4PDCD1CD274
Hydrochloric Acid SCHEMBL217236 0.69 PARP10 (0.35) CHRNB2CHRNA4BRD4PDCD1CD274
SCHEMBL7599331 0.69 HTR1A (0.34) CHRNB2CHRNA4BRD4PDCD1CD274

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-1153938-A1 CATALYST FOR STEREOREGULAR POLYMERIZATION OF ALPHA-OLEFIN AND PROCESS FOR PRODUCING STEREOREGULAR ALPHA-OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-11-14 EP disclosed