SCHEMBL7602124

SCHEMBL7602124

C[Zr](C)(C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.46
HTR2A P28223 1/20 0.41
POLB P06746 2/20 0.39
ACHE P22303 3/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
BCHE P06276 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
SCHEMBL31674571 0.83 GPR3 (0.38) GPR3HTR2APOLBACHECHRM2
SCHEMBL21044873 0.83 GPR3 (0.38) GPR3HTR2APOLBACHECHRM2
SCHEMBL28343619 0.81 GPR3 (0.35) GPR3HTR2APOLB
SCHEMBL7598103 0.77 KDM4E (0.36) GPR3HTR2ACHRM2CHRM1SLC6A2
SCHEMBL796784 0.74 GPR3 (0.41) GPR3HTR2APOLBACHECHRM2
SCHEMBL20440936 0.74 GPR3 (0.41) GPR3HTR2APOLBACHECHRM2
SCHEMBL6547416 0.74 GPR3 (0.41) GPR3HTR2APOLBACHECHRM2
SCHEMBL9418201 0.70 GPR3 (0.48) GPR3HTR2APOLBACHECHRM2
SCHEMBL8755331 0.70 HTR2A (0.38) GPR3HTR2APOLBACHECHRM2
SCHEMBL29641604 0.69 GPR3 (0.52) GPR3HTR2APOLBACHECHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US claimed
EP-0768320-A1 Catalyst component and catalyst NIPPON OIL CO. LTD. (JP) 1997-04-16 EP claimed
US-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US disclosed
CN-1049899-C Process for the preparation of a bridged metallocene compound as well as a catalyst component and a process for the polymerization of olefins DSM NV (NL) 2000-03-01 CN disclosed
EP-0768320-A1 Catalyst component and catalyst NIPPON OIL CO. LTD. (JP) 1997-04-16 EP disclosed
WO-1996019488-A1 A METHOD OF PREPARING HIGH PURITY RACEMIC METALLOCENE ALKYLS AND USE THEREOF EXXON CHEMICAL PATENTS INC. (US) 1996-06-27 WO disclosed