SCHEMBL5607419

SCHEMBL5607419

CC1Cc2cccc(OCBr)c2C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.42
DRD2 P14416 3/20 0.42
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRA1A P35348 1/20 0.39
RECQL P46063 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
CYP19A1 P11511 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38

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
SCHEMBL3657142 0.87 HTR1A (0.42) HTR1ADRD2ADRB2ADRB1ADRA1A
SCHEMBL2417663 0.85 HTR1A (0.44) HTR1ADRD2ADRB2ADRB1ADRA1A
SCHEMBL5606539 0.83 ADRA1A (0.36) ADRA1A
SCHEMBL7606129 0.78 DRD2 (0.57) HTR1ADRD2CYP19A1
SCHEMBL14645602 0.77 POLL (0.36) ADRB2ADRB1ADRA1ALMNATSHR
SCHEMBL7764899 0.75 DRD2 (0.63) HTR1ADRD2
SCHEMBL20165699 0.75 RXRA (0.41) HTR1ADRD2
SCHEMBL5607629 0.71 RXRB (0.52)
SCHEMBL11075914 0.71 RXRA (0.52)
SCHEMBL30422252 0.70 BRD4 (0.39) HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541823-A1 CATALYSTS Borealis AG (AT) 2019-09-25 EP disclosed
WO-2018091684-A1 CATALYSTS BOREALIS AG (AT) 2018-05-24 WO disclosed
EP-2935296-A1 CATALYST Borealis AG (AT) 2015-10-28 EP disclosed
EP-2935295-A1 CATALYST Borealis AG (AT) 2015-10-28 EP disclosed
WO-2014096164-A1 CATALYSTS BOREALIS AG (AT) 2014-06-26 WO disclosed
WO-2014096171-A1 CATALYST BOREALIS AG (AT) 2014-06-26 WO disclosed
WO-2014096282-A1 CATALYST BOREALIS AG (AT) 2014-06-26 WO disclosed
WO-2014096166-A1 CATALYSTS BOREALIS AG (AT) 2014-06-26 WO disclosed
EP-1833859-A2 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION ExxonMobil Chemical Patents Inc. (US) 2007-09-19 EP disclosed
EP-1833858-A2 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION Exxonmobil Chemical Patents Inc. (US) 2007-09-19 EP disclosed
WO-2006065843-A2 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 WO disclosed
WO-2006065809-A2 HETEROATOM BRIDGED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 WO disclosed
WO-2006065906-A2 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 WO disclosed