SCHEMBL5698322

SCHEMBL5698322

C1=CC(C2C=Cc3ccccc32)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.44
HTR6 P50406 1/20 0.42
KDM4E B2RXH2 3/20 0.35
CYP2D6 P10635 3/20 0.35
TP53 P04637 2/20 0.35
CYP3A4 P08684 2/20 0.35
HSD17B10 Q99714 2/20 0.35
BRD4 O60885 1/20 0.35
CCL2 P13500 1/20 0.35
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
NFKB1 P19838 1/20 0.35
CHRM3 P20309 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35

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
SCHEMBL10352714 0.84 HTR2A (0.38) HTR2AHTR6KDM4ECYP2D6TP53
Hydrochloric Acid SCHEMBL1538888 0.82 HTR6 (0.40) HTR2AHTR6KDM4ECYP2D6TP53
SCHEMBL5823608 0.82 CYP2D6 (0.39) HTR2AHTR6KDM4ECYP2D6TP53
SCHEMBL7302548 0.80 HTR6 (0.33) HTR2AHTR6RET
SCHEMBL28839778 0.80 HTR2A (0.35) HTR2AHTR6KDM4ECYP2D6ALDH1A1
SCHEMBL7185802 0.80 HTR2A (0.35) HTR2AHTR6KDM4ECYP2D6MEN1
SCHEMBL1074094 0.80 HTR2A (0.35) HTR2AHTR6KDM4ECYP2D6HTR2C
SCHEMBL7185808 0.80 HTR2A (0.35) HTR2AHTR6KDM4ECYP2D6MEN1
SCHEMBL10589173 0.79 PRCP (0.38) HTR2AHTR6KDM4ECYP2D6HTR2C
SCHEMBL7605148 0.79 PRCP (0.38) HTR2AHTR6KDM4ECYP2D6HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1250342-B1 BRIDGED METALLOCENE COMPOUNDS AS OLEFIN-POLYMERIZATION CATALYSTS POLIMERI EUROPA SPA (IT) 2006-06-28 EP disclosed
US-6984703-B1 Bridged metallocene compounds as olefin-polymerization catalysts POLIMERI EUROPA S.P.A. (IT) 2006-01-10 US disclosed
EP-0716092-B1 Organic transition metal compound and process for the preparation of polyolefin using same TOSOH CORP (JP) 2000-10-25 EP disclosed
US-5770666-A METALLOCENE TOSOH CORPORATION (JP) 1998-06-23 US disclosed
EP-0716092-A1 Organic transition metal compound and process for the preparation of polyolefin using same TOSOH CORPORATION (JP) 1996-06-12 EP disclosed
EP-0236488-A1 HELICAL METALLOCENE OLIGOMERS AND A METHOD FOR THEIR PREPARATION THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1987-09-16 EP disclosed
WO-1987001704-A1 HELICAL METALLOCENE OLIGOMERS AND A METHOD FOR THEIR PREPARATION THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF (US) 1987-03-26 WO disclosed