SCHEMBL8432017

SCHEMBL8432017

C1=CCC([Zr](=C2CCCCC2)c2cccc3c2Cc2ccccc2-3)=C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTR7 P34969 1/20 0.30
HTR2B P41595 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL15663314 0.79 PNMT (0.32) PNMTNPC1RAB9A
SCHEMBL6557797 0.79 PNMT (0.39) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL6559527 0.77 PNMT (0.38) PNMTNPC1RAB9AHTR7HTR2B
Methane SCHEMBL5838735 0.77 PNMT (0.38) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL8413656 0.77 PNMT (0.38) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL16239563 0.77 PNMT (0.32) PNMTNPC1RAB9A
SCHEMBL4469957 0.76 NPC1 (0.45) PNMTNPC1RAB9AHTR7HTR2B
Methane SCHEMBL5838494 0.76 PNMT (0.37) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL18952200 0.76 PNMT (0.35) PNMTNPC1RAB9A
SCHEMBL6227856 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5942459-A ALUMOXANE-FREE MIXTURE OF TRANSITION METAL METALLOCENE, ORGANOALUMINUM COMPOUND, BORIC ACID-CONTAINING POWDER MITSUBISHI CHEMICAL CORPORATION (JP) 1999-08-24 US disclosed
EP-0728773-B1 Catalysts for olefin polymerization and a process for preparing olefin polymers therewith MITSUBISHI CHEM CORP (JP) 1998-11-04 EP disclosed
EP-0728773-A1 Catalysts for olefin polymerization and a process for preparing olefin polymers therewith MITSUBISHI CHEMICAL CORPORATION (JP) 1996-08-28 EP disclosed