SCHEMBL7188586

SCHEMBL7188586

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.33
DRD2 P14416 1/20 0.33
HTR7 P34969 1/20 0.31
CYP2D6 P10635 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A3 Q01959 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP2A6 P11509 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
Hydrochloric Acid SCHEMBL273189 0.99 SLC6A4 (0.33) SLC6A4DRD2HTR7
Hydrochloric Acid SCHEMBL3401092 0.93 DRD2 (0.30) SLC6A4DRD2
SCHEMBL5078073 0.91 ALDH1A1 (0.33) ALDH1A1CYP2A6
SCHEMBL5582114 0.90 SLC6A4 (0.34) SLC6A4DRD2HTR7
Hydrochloric Acid SCHEMBL272443 0.89 SLC6A4 (0.34) SLC6A4DRD2HTR7
SCHEMBL3999593 0.88 PTGS1 (0.33)
Hydrochloric Acid SCHEMBL8606790 0.87 PPARG (0.30)
Hydrochloric Acid SCHEMBL3679145 0.87 CNR1 (0.34) SLC6A4DRD2HTR7
Hydrochloric Acid SCHEMBL7936176 0.86 KDM4E (0.32) SLC6A4DRD2HTR7ALDH1A1
SCHEMBL694455 0.86 HTR7 (0.31) HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740626-B1 CATALYST SYSTEM FOR OLEFIN POLYMERIZATION, ITS PRODUCTION AND USE BASELL POLYOLEFINE GMBH (DE) 2014-10-22 EP disclosed
US-6583227-B2 Crystalline homo/copolymers prepared using sequential or parallel metallocene dual catalyst system; broad, bimodal molecular weight distribution; biaxially oriented and non-oriented films; even stretch at low temperature EXXONMOBIL CHEMICAL PATENTS INC. 2003-06-24 US disclosed
US-20010044506-A1 Crystalline homo/copolymers prepared using sequential or parallel metallocene dual catalyst system; broad, bimodal molecular weight distribution; biaxially oriented and non-oriented films; even stretch at low temperature EXXONMOBIL CHEMICAL PATENTS INC. 2001-11-22 US disclosed