SCHEMBL8612084

SCHEMBL8612084

C=CCC1c2ccccc2-c2cccc([Zr]c3cccc4c3C(CC=C)c3ccccc3-4)c21

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL8613587 0.85
SCHEMBL7561186 0.82
SCHEMBL10774990 0.79 HTR2A (0.43) HTR2ACA1CA2
SCHEMBL17186645 0.79 HTR2A (0.39) HTR2ACA1CA2
SCHEMBL252162 0.79 HTR2A (0.52) HTR2ACA1CA2
Hydrochloric Acid SCHEMBL8169416 0.78 HTR2A (0.38) HTR2ACA1CA2
SCHEMBL300454 0.78 GABRA1 (0.45) HTR2ACA1CA2
Hydrochloric Acid SCHEMBL6720542 0.77 HTR2A (0.37) HTR2ACA1CA2
Hydrochloric Acid SCHEMBL6300773 0.77 HTR2A (0.37) HTR2ACA1CA2
SCHEMBL8169417 0.76 HTR2A (0.36) HTR2A

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-0685495-B1 Method for using a supported metallocene catalyst system PHILLIPS PETROLEUM CO (US) 1998-04-08 EP claimed