SCHEMBL694258

SCHEMBL694258

C[Zr](C)(=[SiH2])(C1C(CC2CCCC2)=Cc2c(-c3cccc4ccccc34)ccc(-c3cccc4ccccc34)c21)C1C(CC2CCCC2)=Cc2c(-c3cccc4ccccc34)ccc(-c3cccc4ccccc34)c21

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.30
HTR7 P34969 2/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL694607 0.99 ACP3 (0.31)
Hydrochloric Acid SCHEMBL690139 0.99
SCHEMBL695158 0.99 ACP3 (0.31)
Hydrochloric Acid SCHEMBL720320 0.98 ACP3 (0.31)
Hydrochloric Acid SCHEMBL689444 0.98 ACP3 (0.31)
SCHEMBL694537 0.98 HTR1A (0.30) HTR1AHTR7SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL689812 0.97
SCHEMBL695425 0.96 HTR7 (0.31) HTR1AHTR7SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL690375 0.94 HTR7 (0.31) HTR1AHTR7SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL3066533 0.91 ACP3 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203486-B9 RACEMOSELECTIVE SYNTHESIS OF ANSA-METALLOCENE COMPOUNDS, ANSA-METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO- AND COPOLYMERS LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) 2012-08-01 EP claimed
EP-2203486-B1 RACEMOSELECTIVE SYNTHESIS OF ANSA-METALLOCENE COMPOUNDS, ANSA-METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO- AND COPOLYMERS LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) 2012-02-29 EP claimed