SCHEMBL3672615

SCHEMBL3672615

CC1=C2CCC3=C(C)C([Zr]C1c1cccc(-c4ccccc4)c12)c1cccc(-c2ccccc2)c13

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.35
HTR7 P34969 5/20 0.35
DRD2 P14416 1/20 0.35
CYP11B2 P19099 3/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
BRD4 O60885 1/20 0.33
PARP10 Q53GL7 2/20 0.33
PARP11 Q9NR21 2/20 0.33
HRH1 P35367 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
HTR2B P41595 2/20 0.31
TMEM97 Q5BJF2 2/20 0.31
SIGMAR1 Q99720 2/20 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
SCHEMBL7930453 0.91 CHRNB2 (0.34) HTR1AHTR7DRD2CYP11B2CHRNB2
SCHEMBL7639484 0.90 MAOB (0.34) HTR1AHTR7DRD2CYP11B2CHRNB2
SCHEMBL6654454 0.81 DHFR (0.38) HTR1AHTR7BRD4
Hydrochloric Acid SCHEMBL217236 0.78 PARP10 (0.35) HTR1AHTR7DRD2CYP11B2CHRNB2
SCHEMBL1900079 0.78 PDCD1 (0.32) CHRNB2CHRNA4PDCD1CD274
Hydrochloric Acid SCHEMBL5616232 0.78 HTR1A (0.34) HTR1AHTR7DRD2CYP11B2CHRNB2
SCHEMBL5345743 0.78 HTR1A (0.34) HTR1AHTR7DRD2CYP11B2CHRNB2
Hydrochloric Acid SCHEMBL217523 0.78 HTR1A (0.36) HTR1AHTR7DRD2CYP11B2CHRNB2
SCHEMBL7599331 0.78 HTR1A (0.34) HTR1AHTR7DRD2CYP11B2CHRNB2
Chloromethane SCHEMBL7185377 0.75 PDCD1 (0.30) PDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203508-A1 COLOURED PIPES FOR TRANSPORTING DISINFECTANT-CONTAINING WATER Total Petrochemicals Research Feluy (BE) 2010-07-07 EP disclosed
WO-2009053228-A1 COLOURED PIPES FOR TRANSPORTING DISINFECTANT-CONTAINING WATER TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2009-04-30 WO disclosed
EP-1153938-A1 CATALYST FOR STEREOREGULAR POLYMERIZATION OF ALPHA-OLEFIN AND PROCESS FOR PRODUCING STEREOREGULAR ALPHA-OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-11-14 EP disclosed
EP-1056752-A1 CATALYST ACTIVATORS COMPRISING EXPANDED ANIONS THE DOW CHEMICAL COMPANY (US) 2000-12-06 EP disclosed
US-5972822-A Biscyclopentadienyldiene complex containing addition polymerization catalysts THE DOW CHEMICAL COMPANY (US) 1999-10-26 US disclosed
WO-1999042467-A1 CATALYST ACTIVATORS COMPRISING EXPANDED ANIONS THE DOW CHEMICAL COMPANY (US) 1999-08-26 WO disclosed
US-5616664-A Polymerization process with biscyclopentadienyl diene complex containing catalysts THE DOW CHEMICAL COMPANY (US) 1997-04-01 US disclosed
US-5527929-A Zwitterionic biscyclopentadienyl complexes THE DOW CHEMICAL COMPANY (US) 1996-06-18 US disclosed