SCHEMBL7566618

SCHEMBL7566618

c1ccc(C[Zr](Cc2ccccc2)(Cc2ccccc2)C2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
HTR2A P28223 2/20 0.39
ACHE P22303 2/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A3 O75751 1/20 0.35
BCHE P06276 1/20 0.35
HTR6 P50406 2/20 0.35
GPR3 P46089 1/20 0.34
TSHR P16473 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 1/20 0.33
CALM1 P0DP23 1/20 0.33
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 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
SCHEMBL8755072 0.83 MAPT (0.43) MAPTHTR2AGPR3TSHRNPSR1
SCHEMBL8755331 0.67 HTR2A (0.38) MAPTHTR2AACHEBCHEGPR3
SCHEMBL3918548 0.67 HTR2A (0.54) MAPTHTR2AHTR6MEN1KMT2A
SCHEMBL7602124 0.66 GPR3 (0.46) HTR2AACHESLC22A2SLC22A3BCHE
SCHEMBL6547416 0.66 GPR3 (0.41) HTR2AACHESLC22A2SLC22A3BCHE
SCHEMBL796784 0.66 GPR3 (0.41) HTR2AACHESLC22A2SLC22A3BCHE
SCHEMBL20440936 0.66 GPR3 (0.41) HTR2AACHESLC22A2SLC22A3BCHE
SCHEMBL21044884 0.65 TSHR (0.39) HTR2ATSHRCALM1
SCHEMBL12994236 0.64 GPR3 (0.45) MAPTSLC22A2SLC22A3HTR6GPR3
SCHEMBL28586502 0.64 HTR2A (0.35) MAPTHTR2ASLC22A2SLC22A3GPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020103315-A1 Catalyst composition for the polymerization of olefins PETERSON THOMAS H (US) 2002-08-01 US disclosed
US-20020002256-A1 CATALYST COMPOSITION FOR THE POLYMERIZATION OF OLEFINS UNIVATION TECHNOLOGIES, L.L.C. 2002-01-03 US disclosed
EP-1115760-A1 MONOCYCLOPENTADIENYL METAL CATALYST COMPOSITION FOR THE POLYMERIZATION OF OLEFINS Univation Technologies LLC (US) 2001-07-18 EP disclosed
WO-2000015676-A1 MONOCYCLOPENTADIENYL METAL CATALYST COMPOSITION FOR THE POLYMERIZATION OF OLEFINS UNIVATION TECHNOLOGIES, LLC (US) 2000-03-23 WO disclosed