SCHEMBL7597618

SCHEMBL7597618

CCC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Zr](C)(C)(C)(C)(=[SiH2])C1C(CC)=Cc2c(-c3cccc4ccccc34)cccc21

nearest known ligand 0.31

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.31
HTR1A P08908 1/20 0.31
HTR2B P41595 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
SLC6A4 P31645 5/20 0.31
DRD2 P14416 1/20 0.31
CYP2D6 P10635 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL7607542 0.88
SCHEMBL7597009 0.88
SCHEMBL6381141 0.86 HTR7 (0.31) HTR7HTR1AHTR2BTMEM97SIGMAR1
SCHEMBL797781 0.86 CNR2 (0.33) HTR7SLC6A4DRD2ALOX15
SCHEMBL5353710 0.83 CA12 (0.33) HTR7HTR1AKDM4EALDH1A1ALOX12
SCHEMBL5353410 0.83 EDNRB (0.30)
SCHEMBL797219 0.82 CNR2 (0.31)
SCHEMBL796787 0.81 CNR2 (0.31)
SCHEMBL5859330 0.80 SLC6A4 (0.34) HTR7HTR1ASLC6A4DRD2CYP2D6
SCHEMBL27559648 0.79 SLC6A4 (0.33) HTR7HTR1ASLC6A4DRD2CYP2D6

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