SCHEMBL7644941

SCHEMBL7644941

CC=[Zr](C)(Cl)(Cl)(C1C=Cc2ccccc21)C1C=Cc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.33
HTR2A P28223 2/20 0.32
SIGMAR1 Q99720 2/20 0.31
BRD4 O60885 1/20 0.30
CCL2 P13500 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CHRM2 P08172 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
NFKB1 P19838 1/20 0.30
CHRM3 P20309 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30

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
SCHEMBL7770537 0.86 HTR6 (0.33) HTR6HTR2ASIGMAR1BRD4CCL2
SCHEMBL8666606 0.84 RET (0.34) HTR6HTR2ASIGMAR1BRD4CCL2
SCHEMBL2777171 0.84 HTR2A (0.33) HTR6HTR2ASIGMAR1BRD4CCL2
SCHEMBL437961 0.81 SIGMAR1 (0.31) HTR6HTR2ASIGMAR1
SCHEMBL4457342 0.81 HTR2A (0.36) HTR6HTR2ASIGMAR1BRD4CCL2
SCHEMBL7644577 0.78 HTR2A (0.33) HTR6HTR2ASIGMAR1KDM4ELMNA
SCHEMBL7109891 0.78 SIGMAR1 (0.31) HTR6HTR2ASIGMAR1
SCHEMBL7615275 0.78 HTR2A (0.34) HTR6HTR2ASIGMAR1BRD4CCL2
SCHEMBL7063904 0.76 GPR3 (0.30)
SCHEMBL1065902 0.73 HTR2A (0.33) HTR6HTR2ASIGMAR1BRD4CCL2

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
US-6479423-B1 Process for the preparation of a polyolefin BASELL POLYOLEFINE GMBH (DE) 2002-11-12 US claimed
EP-0615981-B1 Supported catalyst system, its preparation and its use in olefin polymerisation TARGOR GMBH (DE) 1998-05-06 EP claimed
EP-0610852-B1 Process for preparing cyclo-olefin polymers HOECHST AG (DE) 1997-05-07 EP claimed
US-5719095-A FIXING METALLOCENE CATALYST TO SUPPORT BY CONTACT WITH SUPPORTED COCATALYST IN SUSPENSION WHILE IRRADIATING WITH MICROWAVES HOECHST AG (DE) 1998-02-17 US disclosed
US-5545829-A Process for preparing cycloolefin copolymers HOECHST AKTIENGESELLSCHAFT (DE) 1996-08-13 US disclosed