SCHEMBL8774018

SCHEMBL8774018

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
GPR3 P46089 2/20 0.40
HTR2A P28223 2/20 0.40
BCHE P06276 1/20 0.40
SLC22A2 O15244 1/20 0.36
SLC22A3 O75751 1/20 0.36
POLB P06746 2/20 0.34
KMT2A Q03164 2/20 0.32

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
SCHEMBL8774247 0.81 GPR3 (0.46) ACHECHRM2HTR1AADRA2ACHRM1
Bromide SCHEMBL3383748 0.78 GPR3 (0.46) ACHECHRM2HTR1AADRA2ACHRM1
Fluoride Ion SCHEMBL3384407 0.78 GPR3 (0.46) ACHECHRM2HTR1AADRA2ACHRM1
Hydrochloric Acid SCHEMBL3385863 0.78 GPR3 (0.46) ACHECHRM2HTR1AADRA2ACHRM1
Iodide SCHEMBL3382484 0.78 GPR3 (0.46) ACHECHRM2HTR1AADRA2ACHRM1
Hydrochloric Acid SCHEMBL3894356 0.72 GPR3 (0.39) ACHECHRM2HTR1AADRA2ACHRM1
Hydrochloric Acid SCHEMBL8159748 0.71 GPR3 (0.41) ACHECHRM2HTR1AADRA2ACHRM1
Hydrochloric Acid SCHEMBL8153895 0.71 GPR3 (0.41) ACHECHRM2HTR1AADRA2ACHRM1
SCHEMBL633764 0.67 HTR2A (0.58) ACHECHRM2HTR1AADRA2ACHRM1
Hydrochloric Acid SCHEMBL4632310 0.67 ELANE (0.44) ACHECHRM2HTR1AADRA2ACHRM1

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