SCHEMBL8774082

SCHEMBL8774082

CCCC[N-]CCCC.CCCC[N-]CCCC.CCCC[N-]CCCC.[Ti+3]c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.42
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SIGMAR1 Q99720 2/20 0.34
HTR2A P28223 4/20 0.33
DRD2 P14416 2/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
PGR P06401 1/20 0.32
HRH1 P35367 2/20 0.31
ALOX12 P18054 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
SCHEMBL8774388 0.93 PNMT (0.45) PNMTNPC1RAB9ASIGMAR1HTR2A
SCHEMBL8774021 0.85 PNMT (0.46) PNMTNPC1RAB9AHTR2ADRD2
SCHEMBL8774252 0.81 PNMT (0.47) PNMTNPC1RAB9AHTR2ADRD2
Hydrochloric Acid SCHEMBL3385861 0.79 PNMT (0.52) PNMTNPC1RAB9AHTR2ADRD2
Bromide SCHEMBL3383744 0.79 PNMT (0.52) PNMTNPC1RAB9AHTR2ADRD2
Hydrochloric Acid SCHEMBL30274953 0.79 PNMT (0.52) PNMTNPC1RAB9AHTR2ADRD2
Fluoride Ion SCHEMBL3384402 0.79 PNMT (0.52) PNMTNPC1RAB9AHTR2ADRD2
Iodide SCHEMBL3382482 0.79 PNMT (0.52) PNMTNPC1RAB9AHTR2ADRD2
Hydrochloric Acid SCHEMBL8159750 0.74 PNMT (0.44) PNMTNPC1RAB9AHTR2ADRD2
Hexane SCHEMBL8572947 0.71 PNMT (0.47) PNMTNPC1RAB9ASIGMAR1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0476671-B1 Homogeneous catalysts for olefin polymerization DOW CHEMICAL CO (US) 1997-11-05 EP disclosed
EP-0745617-A2 Olefin polymerisation process THE DOW CHEMICAL COMPANY (US) 1996-12-04 EP disclosed
US-5312938-A Complexing an aminotitanium compound with an indene compound THE DOW CHEMICAL COMPANY (US) 1994-05-17 US disclosed
US-5194532-A Complexes of titanium, indene derivatives and secondary amines THE DOW CHEMICAL COMPANY (US) 1993-03-16 US disclosed
EP-0476671-A2 Homogeneous catalysts and olefin polymerization process THE DOW CHEMICAL COMPANY (US) 1992-03-25 EP disclosed