SCHEMBL8774247

SCHEMBL8774247

C[N-]C.C[N-]C.C[N-]C.[Ti+3]C1c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.46
ACHE P22303 3/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
HTR2A P28223 1/20 0.41
POLB P06746 2/20 0.39
KMT2A Q03164 3/20 0.36
BCHE P06276 2/20 0.36
MEN1 O00255 2/20 0.36
SLC22A2 O15244 1/20 0.36

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
Bromide SCHEMBL3383748 0.86 GPR3 (0.46) GPR3ACHECHRM2HTR1AADRA2A
Iodide SCHEMBL3382484 0.86 GPR3 (0.46) GPR3ACHECHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL3385863 0.86 GPR3 (0.46) GPR3ACHECHRM2HTR1AADRA2A
Fluoride Ion SCHEMBL3384407 0.86 GPR3 (0.46) GPR3ACHECHRM2HTR1AADRA2A
SCHEMBL8774018 0.81 ACHE (0.41) GPR3ACHECHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL3894356 0.80 GPR3 (0.39) GPR3ACHECHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL8159748 0.78 GPR3 (0.41) GPR3ACHECHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL8153895 0.78 GPR3 (0.41) GPR3ACHECHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL4632310 0.73 ELANE (0.44) GPR3ACHECHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL4633012 0.72 GPR3 (0.35) GPR3ACHECHRM2HTR1AADRA2A

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