SCHEMBL8774388

SCHEMBL8774388

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.45
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HTR7 P34969 6/20 0.35
HTR2B P41595 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
PGR P06401 1/20 0.33
HTR2A P28223 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
MAOA P21397 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 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
SCHEMBL8774082 0.93 PNMT (0.42) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL8774021 0.89 PNMT (0.46) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL8774252 0.85 PNMT (0.47) PNMTNPC1RAB9AHTR7HTR2B
Bromide SCHEMBL3383744 0.83 PNMT (0.52) PNMTNPC1RAB9AHTR7HTR2B
Iodide SCHEMBL3382482 0.83 PNMT (0.52) PNMTNPC1RAB9AHTR7HTR2B
Fluoride Ion SCHEMBL3384402 0.83 PNMT (0.52) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL3385861 0.83 PNMT (0.52) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL30274953 0.83 PNMT (0.52) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL8159750 0.78 PNMT (0.44) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL2877998 0.73 PNMT (0.61) 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 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