SCHEMBL7602016

SCHEMBL7602016

CCC1=C2c3c(-c4ccccc4)cccc3C1[Hf](C)(C)C1C(CC)=C(c3c(-c4ccccc4)cccc31)C2(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 0.33
HTR2B P41595 2/20 0.33
TMEM97 Q5BJF2 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
BRD4 O60885 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
KCNQ2 O43526 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL797306 0.84 SOAT1 (0.30) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL7603055 0.80 HTR7 (0.37) HTR1AHTR7BRD4EDNRBEDNRA
SCHEMBL7598786 0.79 HTR1A (0.30) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL7602713 0.77 HTR1A (0.37) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL7602677 0.77 EDNRB (0.31) EDNRBEDNRA
SCHEMBL797081 0.74 SOAT1 (0.30)
SCHEMBL7599191 0.69 HTR1A (0.34) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL17387021 0.68 HTR1A (0.30) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL5359571 0.68 BRD4 (0.34) BRD4
SCHEMBL7194429 0.68 BRD4 (0.32) BRD4

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 2 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
US-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US disclosed