SCHEMBL7109706

SCHEMBL7109706

Cl[Ti](Cl)(c1cccc2c1Cc1ccccc1-2)(c1cccc2c1Cc1ccccc1-2)=[Si](c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.41
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
ACHE P22303 2/20 0.33
BCHE P06276 1/20 0.33
PGR P06401 1/20 0.33
HSP90AA1 P07900 1/20 0.32
KDR P35968 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
MAOA P21397 1/20 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
SCHEMBL396687 0.81 PNMT (0.42) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL8382421 0.74 PNMT (0.31) PNMT
SCHEMBL6554616 0.74 PGR (0.33) PNMTNPC1RAB9APGR
SCHEMBL7754800 0.72 PNMT (0.50) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL714249 0.72 PNMT (0.42) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL714924 0.72 NPC1 (0.48) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL7201387 0.72 PNMT (0.42) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL7780978 0.72 PNMT (0.42) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL8373494 0.70 PNMT (0.47) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL30103334 0.70 PNMT (0.63) PNMTNPC1RAB9AHTR7HTR2B

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
EP-0834514-B1 Process for synthesizing metallocene compounds KANTO KAGAKU (JP) 2003-10-22 EP disclosed
US-5892075-A Process for synthesizing metallocene compounds KANTO KAGAKU KABUSHIKI KAISHA (JP) 1999-04-06 US disclosed
EP-0834514-A2 Process for synthesizing metallocene compounds KANTO KAGAKU KABUSHIKI KAISHA (JP) 1998-04-08 EP disclosed