SCHEMBL1628985

SCHEMBL1628985

C=CCN(CC=C)CCc1cc[c]cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 10/20 0.47
OPRM1 P35372 6/20 0.47
OPRD1 P41143 4/20 0.47
BCHE P06276 7/20 0.41
SIGMAR1 Q99720 7/20 0.41
HTR1A P08908 6/20 0.41
ADRA2A P08913 6/20 0.41
ADRA2B P18089 6/20 0.41
ADRA2C P18825 6/20 0.41
HTR1D P28221 6/20 0.41
HTR2A P28223 6/20 0.41
HTR2C P28335 6/20 0.41
HTR1E P28566 6/20 0.41
SLC6A4 P31645 6/20 0.41
HRH1 P35367 6/20 0.41
DRD3 P35462 6/20 0.41
HTR2B P41595 6/20 0.41
HTR6 P50406 6/20 0.41
SLC6A3 Q01959 6/20 0.41
ADRA1A P35348 5/20 0.41

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
SCHEMBL742846 0.80 PYCR1 (0.43) OPRK1OPRM1OPRD1BCHEHRH3
SCHEMBL3749579 0.80 OPRK1 (0.59) OPRK1OPRM1OPRD1BCHESIGMAR1
Bromide SCHEMBL10656516 0.78 OPRK1 (0.57) OPRK1OPRM1OPRD1BCHESIGMAR1
Hydrochloric Acid SCHEMBL2831864 0.78 OPRK1 (0.60) OPRK1OPRM1OPRD1BCHESIGMAR1
SCHEMBL11304682 0.77 OPRK1 (0.71) OPRK1OPRM1OPRD1BCHESIGMAR1
SCHEMBL11496184 0.77 OPRK1 (0.50) OPRK1OPRM1OPRD1BCHESIGMAR1
SCHEMBL607926 0.77 OPRK1 (0.50) OPRK1OPRM1OPRD1BCHESIGMAR1
SCHEMBL11573309 0.76 OPRK1 (0.64) OPRK1OPRM1OPRD1BCHESIGMAR1
SCHEMBL2463325 0.74 KCNH2 (0.44) OPRM1BCHESIGMAR1HTR1AADRA2A
SCHEMBL219418 0.73 KDM4E (0.60) SIGMAR1KDM4EMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910433-B1 CROSSLINKED HYDROPHILE POLYMER MERCK PATENT GMBH (DE) 2014-11-05 EP disclosed
US-8765897-B2 Hydrophilic crosslinked polymer MERCK PATENT GMBH (DE) 2014-07-01 US disclosed
US-20140155565-A1 HYDROPHILIC CROSSLINKED POLYMER MERCK PATENT GMBH (DE) 2014-06-05 US disclosed
US-7951885-B2 Hydrophilic crosslinked polymer MERCK PATENT GMBH (DE) 2011-05-31 US disclosed
US-20110091727-A1 HYDROPHILIC CROSSLINKED POLYMER JOEHNCK MATTHIAS 2011-04-21 US disclosed
US-20080210615-A1 Hydrophilic Crosslinked Polymer MERCK PATENT GMBH (DE) 2008-09-04 US disclosed
EP-1910433-A1 HYDROPHILIC CROSSLINKED POLYMER Merck Patent GmbH (DE) 2008-04-16 EP disclosed
EP-0625161-B9 PROCESS FOR RECOVERING A HIGH-PURITY VIRUS-INACTIVATED FACTOR VIII/VON WILLEBRAND FACTOR COMPLEX BY ANION EXCHANGER CHROMATOGRAPHY OCTAPHARMA AG (CH) 2007-09-19 EP disclosed
EP-0625161-B2 PROCESS FOR RECOVERING A HIGH-PURITY VIRUS-INACTIVATED FACTOR VIII/VON WILLEBRAND FACTOR COMPLEX BY ANION EXCHANGER CHROMATOGRAPHY OCTAPHARMA AG (CH) 2007-05-16 EP disclosed
EP-1754534-A1 Crosslinked hydrophile polymer MERCK PATENT GmbH (DE) 2007-02-21 EP disclosed
WO-2007014591-A1 HYDROPHILIC CROSSLINKED POLYMER MERCK PATENT GMBH (DE) 2007-02-08 WO disclosed
EP-0625161-B1 PROCESS FOR RECOVERING A HIGH-PURITY VIRUS-INACTIVATED FACTOR VIII/VON WILLEBRAND FACTOR COMPLEX BY ANION EXCHANGER CHROMATOGRAPHY OCTAPHARMA AG (CH) 2001-07-18 EP disclosed
US-5714590-A Process for recovering a high-purity virus-inactivated factor VIII by anion exchanger chromatography OCTAPHARMA AG (CH) 1998-02-03 US disclosed
EP-0625161-A1 PROCESS FOR RECOVERING A HIGH-PURITY VIRUS-INACTIVATED FACTOR VIII BY ANION EXCHANGER CHROMATOGRAPHY OCTAPHARMA AG (CH) 1994-11-23 EP disclosed
WO-1993015105-A1 PROCESS FOR RECOVERING A HIGH-PURITY VIRUS-INACTIVATED FACTOR VIII BY ANION EXCHANGER CHROMATOGRAPHY OCTAPHARMA AG (CH) 1993-08-05 WO disclosed
EP-0337144-B1 SEPARATION MATERIALS MERCK PATENT GmbH (DE) 1992-05-13 EP disclosed
EP-0337144-A1 Separation materials MERCK PATENT GmbH (DE) 1989-10-18 EP disclosed