SCHEMBL7597692

SCHEMBL7597692

CCC1=C(c2cccc3ccccc23)c2c3cccc2C1[Hf](C)(C)C1C(CC)=C(c2cccc4ccccc24)c2c(cccc21)CC3

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.38
HTR1A P08908 5/20 0.37
SLC6A4 P31645 7/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A3 Q01959 3/20 0.34
CYP2D6 P10635 1/20 0.33
DRD2 P14416 2/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
BRD4 O60885 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 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
SCHEMBL796713 0.85 HTR7 (0.38) HTR7HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL7599303 0.81 HTR7 (0.36) HTR7HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL7601517 0.80
SCHEMBL797679 0.77 HTR7 (0.35) HTR7HTR1ASLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL7584293 0.73 SLC6A4 (0.34) HTR7SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL7602061 0.72 HTR7 (0.39) HTR7HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL7603055 0.71 HTR7 (0.37) HTR7HTR1ADRD2BRD4
SCHEMBL7607516 0.70 HTR2A (0.33)
Hydrochloric Acid SCHEMBL218908 0.69 HTR7 (0.36) HTR7HTR1ASLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL5616484 0.69 HTR7 (0.36) HTR7HTR1ASLC6A4SLC6A2SLC6A3

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